5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide

C16H14ClN3O3S — CID 70251391

IUPAC5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide
SMILESN#Cc1ccc(N2C[C@H](CNC(=O)C3CC=C(Cl)S3)OC2=O)cc1
InChIInChI=1S/C16H14ClN3O3S/c17-14-6-5-13(24-14)15(21)19-8-12-9-20(16(22)23-12)11-3-1-10(7-18)2-4-11/h1-4,6,12-13H,5,8-9H2,(H,19,21)/t12-,13?/m0/s1
InChIKeyLLBWBXRIQMQGPD-UEWDXFNNSA-N
MW363.83 g/mol
LogP2.59
Rot. Bonds4

About 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide

5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide (PubChem CID 70251391) has the molecular formula C16H14ClN3O3S and a molecular weight of 363.83 g/mol. Its IUPAC name is 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide
PubChem CID70251391
Molecular FormulaC16H14ClN3O3S
Molecular Weight363.83 g/mol
Exact Mass363.04
IUPAC Name5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide
SMILESN#Cc1ccc(N2C[C@H](CNC(=O)C3CC=C(Cl)S3)OC2=O)cc1
InChIInChI=1S/C16H14ClN3O3S/c17-14-6-5-13(24-14)15(21)19-8-12-9-20(16(22)23-12)11-3-1-10(7-18)2-4-11/h1-4,6,12-13H,5,8-9H2,(H,19,21)/t12-,13?/m0/s1
InChIKeyLLBWBXRIQMQGPD-UEWDXFNNSA-N
XLogP2.59
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.83
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(3-acetamido-4-piperidin-1-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chloro-2,3-dihydrothiophene-2-carboxamide
CID 70304449
5-bromo-N-[[(5S)-2-oxo-3-[4-(2-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide
CID 70304587
N-[[1-(4-aminophenyl)-5-oxopyrrolidin-3-yl]methyl]-5-chloro-2,3-dihydrothiophene-2-carboxamide
CID 67564633
N-[[3-[4-(4-cyanophenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69098886
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
methyl 2-[4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356352
5-chloro-N-[[3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 74930687
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069
[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl 2-(azetidin-3-yloxy)acetate
CID 150287256
5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 57496659
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide (CID 70251391) is 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide is N#Cc1ccc(N2C[C@H](CNC(=O)C3CC=C(Cl)S3)OC2=O)cc1.
What is the InChIKey of 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide?
The InChIKey is LLBWBXRIQMQGPD-UEWDXFNNSA-N. The full InChI is InChI=1S/C16H14ClN3O3S/c17-14-6-5-13(24-14)15(21)19-8-12-9-20(16(22)23-12)11-3-1-10(7-18)2-4-11/h1-4,6,12-13H,5,8-9H2,(H,19,21)/t12-,13?/m0/s1.
What are the key properties of 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide?
5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide has a molecular weight of 363.83 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[(5S)-3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,3-dihydrothiophene-2-carboxamide is sourced from PubChem (CID 70251391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).