(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C17H13ClF2N2O3 — CID 162520725

IUPAC(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2cccc(F)c2F)O1
InChIInChI=1S/C17H13ClF2N2O3/c18-10-6-4-9(5-7-10)15(11-2-1-3-12(19)14(11)20)22-16(23)13-8-21-17(24)25-13/h1-7,13,15H,8H2,(H,21,24)(H,22,23)/t13-,15?/m0/s1
InChIKeyWHNXNDUANWCSDK-CFMCSPIPSA-N
MW366.75 g/mol
LogP2.93
Rot. Bonds4

About (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520725) has the molecular formula C17H13ClF2N2O3 and a molecular weight of 366.75 g/mol. Its IUPAC name is (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520725
Molecular FormulaC17H13ClF2N2O3
Molecular Weight366.75 g/mol
Exact Mass366.06
IUPAC Name(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2cccc(F)c2F)O1
InChIInChI=1S/C17H13ClF2N2O3/c18-10-6-4-9(5-7-10)15(11-2-1-3-12(19)14(11)20)22-16(23)13-8-21-17(24)25-13/h1-7,13,15H,8H2,(H,21,24)(H,22,23)/t13-,15?/m0/s1
InChIKeyWHNXNDUANWCSDK-CFMCSPIPSA-N
XLogP2.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520725) is (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(Cl)cc2)c2cccc(F)c2F)O1.
What is the InChIKey of (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is WHNXNDUANWCSDK-CFMCSPIPSA-N. The full InChI is InChI=1S/C17H13ClF2N2O3/c18-10-6-4-9(5-7-10)15(11-2-1-3-12(19)14(11)20)22-16(23)13-8-21-17(24)25-13/h1-7,13,15H,8H2,(H,21,24)(H,22,23)/t13-,15?/m0/s1.
What are the key properties of (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 366.75 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).