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

C18H16Cl2N2O3 — CID 162520683

IUPAC(5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCc1cc([C@H](NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-10-8-12(4-7-14(10)20)16(11-2-5-13(19)6-3-11)22-17(23)15-9-21-18(24)25-15/h2-8,15-16H,9H2,1H3,(H,21,24)(H,22,23)/t15-,16+/m0/s1
InChIKeyHOQBVPGJYMWAGU-JKSUJKDBSA-N
MW379.24 g/mol
LogP3.62
Rot. Bonds4

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

(5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520683) has the molecular formula C18H16Cl2N2O3 and a molecular weight of 379.24 g/mol. Its IUPAC name is (5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520683
Molecular FormulaC18H16Cl2N2O3
Molecular Weight379.24 g/mol
Exact Mass378.05
IUPAC Name(5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCc1cc([C@H](NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)ccc1Cl
InChIInChI=1S/C18H16Cl2N2O3/c1-10-8-12(4-7-14(10)20)16(11-2-5-13(19)6-3-11)22-17(23)15-9-21-18(24)25-15/h2-8,15-16H,9H2,1H3,(H,21,24)(H,22,23)/t15-,16+/m0/s1
InChIKeyHOQBVPGJYMWAGU-JKSUJKDBSA-N
XLogP3.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 175423866
(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899546
(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520721
N-[(3,5-dichlorophenyl)-phenylmethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849441
(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520725
(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520720
N-[(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520732
N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 175423820
(5S)-N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899295
(5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520644
(5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 170217816
(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520678

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520683) is (5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is Cc1cc([C@H](NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)ccc1Cl.
What is the InChIKey of (5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is HOQBVPGJYMWAGU-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H16Cl2N2O3/c1-10-8-12(4-7-14(10)20)16(11-2-5-13(19)6-3-11)22-17(23)15-9-21-18(24)25-15/h2-8,15-16H,9H2,1H3,(H,21,24)(H,22,23)/t15-,16+/m0/s1.
What are the key properties of (5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 379.24 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).