Substance
- Substance Name: (S)-5-chloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide
- Formula: C19H18ClN3O5S
- Molecular Weight: 435.9 g/mol
- Identifiers:
- casrn: 366789-02-8
- pubchemId: 9875401
- iupacname: 5-chloro-N-[[(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
- inchi: InChI=1S/C19H18ClN3O5S/c20-16-6-5-15(29-16)18(25)21-9-14-10-23(19(26)28-14)13-3-1-12(2-4-13)22-7-8-27-11-17(22)24/h1-6,14H,7-11H2,(H,21,25)/t14-/m0/s1
- inchikey: KGFYHTZWPPHNLQ-AWEZNQCLSA-N
- csmiles: C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl
- ismiles: C1COCC(=O)N1C2=CC=C(C=C2)N3C[C@@H](OC3=O)CNC(=O)C4=CC=C(S4)Cl
- wikidataId: Q420262
- chemspiderId: 8051086
- dsstoxcmpId: DTXCID4031512
- chemblId: CHEMBL198362
- ecnumber: 685-132-2
(S)-5-chloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide
Systems and Datasets
- (S)-5-chloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide (Datasets: 10)
- Dataset 1 in paper 10.1021/acs.jced.5b00667 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 2 in paper 10.1021/acs.jced.5b00667 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 1 in paper 10.1016/j.jct.2015.10.016 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- Dataset 2 in paper 10.1016/j.jct.2015.10.016 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 1 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 1, Quantity: Triple point temperature)
- Dataset 2 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 3 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 1, Quantity: Mass density)
- Dataset 4 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 1, Quantity: Mass density)
- Dataset 5 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 1, Quantity: Mass density)
- Dataset 6 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 1, Quantity: Mass density)
- 1-methyl-2-pyrrolidinone + water + (S)-5-chloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.5b00667 (Dataseries: 6, Datapoints: 66, Quantity: Mole fraction)
- methanol + 1-methyl-2-pyrrolidinone + (S)-5-chloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.5b00667 (Dataseries: 6, Datapoints: 66, Quantity: Mole fraction)
- 1-methyl-2-pyrrolidinone + (S)-5-chloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide (Datasets: 1)
- Dataset 7 in paper 10.1021/acs.jced.5b00667 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- water + (S)-5-chloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide (Datasets: 3)
- Dataset 8 in paper 10.1021/acs.jced.5b00667 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- Dataset 21 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 1, Quantity: Mole fraction)
- Dataset 22 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 1, Quantity: Mole fraction)
- methanol + (S)-5-chloro-N-((2-oxo-3-(4-(3-oxomorpholino)phenyl)oxazolidin-5-yl)methyl)thiophene-2-carboxamide (Datasets: 1)
- Dataset 9 in paper 10.1021/acs.jced.5b00667 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- ethanol + N-methylpyrrolidone + Rivaroxaban (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.5b00667 (Dataseries: 6, Datapoints: 66, Quantity: Mole fraction)
- propan-2-ol + N-methylpyrrolidone + Rivaroxaban (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.5b00667 (Dataseries: 6, Datapoints: 66, Quantity: Mole fraction)
- ethanol + Rivaroxaban (Datasets: 1)
- Dataset 10 in paper 10.1021/acs.jced.5b00667 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- propan-2-ol + Rivaroxaban (Datasets: 1)
- Dataset 11 in paper 10.1021/acs.jced.5b00667 (Dataseries: 1, Datapoints: 11, Quantity: Mole fraction)
- dimethylformamide + ethyl acetate + Rivaroxaban (Datasets: 1)
- Dataset 3 in paper 10.1016/j.jct.2015.10.016 (Dataseries: 6, Datapoints: 54, Quantity: Mole fraction)
- N,N-dimethylethanamide + ethyl acetate + Rivaroxaban (Datasets: 1)
- Dataset 4 in paper 10.1016/j.jct.2015.10.016 (Dataseries: 6, Datapoints: 54, Quantity: Mole fraction)
- tetrahydrofuran + ethyl acetate + Rivaroxaban (Datasets: 1)
- Dataset 5 in paper 10.1016/j.jct.2015.10.016 (Dataseries: 6, Datapoints: 54, Quantity: Mole fraction)
- dimethylformamide + Rivaroxaban (Datasets: 1)
- Dataset 6 in paper 10.1016/j.jct.2015.10.016 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- ethyl acetate + Rivaroxaban (Datasets: 1)
- Dataset 7 in paper 10.1016/j.jct.2015.10.016 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- N,N-dimethylethanamide + Rivaroxaban (Datasets: 1)
- Dataset 8 in paper 10.1016/j.jct.2015.10.016 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- tetrahydrofuran + Rivaroxaban (Datasets: 1)
- Dataset 9 in paper 10.1016/j.jct.2015.10.016 (Dataseries: 1, Datapoints: 9, Quantity: Mole fraction)
- acetonitrile + Rivaroxaban (Datasets: 2)
- Dataset 7 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 8 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- methyl ethanoate + Rivaroxaban (Datasets: 2)
- Dataset 9 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 10 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- 1,4-dioxane + Rivaroxaban (Datasets: 2)
- Dataset 11 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 12 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- acetone + Rivaroxaban (Datasets: 2)
- Dataset 13 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 14 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- butanone + Rivaroxaban (Datasets: 2)
- Dataset 15 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 16 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- pentan-3-one + Rivaroxaban (Datasets: 2)
- Dataset 17 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 18 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- 2-hexanone + Rivaroxaban (Datasets: 2)
- Dataset 19 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)
- Dataset 20 in paper 10.1016/j.jct.2016.09.036 (Dataseries: 1, Datapoints: 10, Quantity: Mole fraction)