4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide

C19H20N2O3 — CID 139263935

IUPAC4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)20-18(22)15-8-10-16(11-9-15)21-17(12-24-19(21)23)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyHCIKAZKAUCTTTL-QGZVFWFLSA-N
MW324.38 g/mol
LogP3.52
Rot. Bonds4

About 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide

4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide (PubChem CID 139263935) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide
PubChem CID139263935
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(N2C(=O)OC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)20-18(22)15-8-10-16(11-9-15)21-17(12-24-19(21)23)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyHCIKAZKAUCTTTL-QGZVFWFLSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-4-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]benzoic acid
CID 67380938
(4S)-3-(3-methoxyphenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 34179074
4-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-propan-2-ylbenzamide
CID 1472511
4-[(15R,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-propan-2-ylbenzamide
CID 1472510
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 59485641
5-oxo-7-phenyl-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 136579285
propan-2-yl 2-[[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-phenoxyphosphoryl]amino]propanoate
CID 130290259
CID 68891597
CID 68891597
(4S)-3-(4-methyl-3H-indol-6-yl)-4-phenyl-1,3-oxazolidin-2-one
CID 58229052
(4R)-4-phenyl-3-[(1S)-1-trimethylsilyloxyethyl]-1,3-oxazolidin-2-one
CID 134936571

Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide (CID 139263935) is 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(N2C(=O)OC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is HCIKAZKAUCTTTL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(2)20-18(22)15-8-10-16(11-9-15)21-17(12-24-19(21)23)14-6-4-3-5-7-14/h3-11,13,17H,12H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide?
4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 324.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 139263935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).