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

C20H21ClN2O3 — CID 166899546

IUPAC(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCC(C)c1cccc(C(NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O3/c1-12(2)14-4-3-5-15(10-14)18(13-6-8-16(21)9-7-13)23-19(24)17-11-22-20(25)26-17/h3-10,12,17-18H,11H2,1-2H3,(H,22,25)(H,23,24)/t17-,18?/m0/s1
InChIKeySDMOTHHKSQMIPP-ZENAZSQFSA-N
MW372.85 g/mol
LogP3.78
Rot. Bonds5

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

(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 166899546) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID166899546
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCC(C)c1cccc(C(NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H21ClN2O3/c1-12(2)14-4-3-5-15(10-14)18(13-6-8-16(21)9-7-13)23-19(24)17-11-22-20(25)26-17/h3-10,12,17-18H,11H2,1-2H3,(H,22,25)(H,23,24)/t17-,18?/m0/s1
InChIKeySDMOTHHKSQMIPP-ZENAZSQFSA-N
XLogP3.78
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.78
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-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520683
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
N-[(R)-(5-chloro-2-methoxyphenyl)-(3-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 175423820
(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520721
(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
(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
4-fluoro-1-(2-oxo-1,3-oxazolidine-5-carbonyl)-N-[phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 165139932
(5S)-N-[(4-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 170217816

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 166899546) is (5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is CC(C)c1cccc(C(NC(=O)[C@@H]2CNC(=O)O2)c2ccc(Cl)cc2)c1.
What is the InChIKey of (5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is SDMOTHHKSQMIPP-ZENAZSQFSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-12(2)14-4-3-5-15(10-14)18(13-6-8-16(21)9-7-13)23-19(24)17-11-22-20(25)26-17/h3-10,12,17-18H,11H2,1-2H3,(H,22,25)(H,23,24)/t17-,18?/m0/s1.
What are the key properties of (5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 372.85 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 166899546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).