1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one

C21H22N2O3 — CID 101201943

IUPAC1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one
SMILESCc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3=O)CON2c2ccccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-9-11-16(12-10-15)20-18(21(25)22-13-5-8-19(22)24)14-26-23(20)17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3/t18-,20+/m0/s1
InChIKeyKTONAGCZGSWASH-AZUAARDMSA-N
MW350.42 g/mol
LogP3.25
Rot. Bonds3

About 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one

1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one (PubChem CID 101201943) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one
PubChem CID101201943
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one
SMILESCc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3=O)CON2c2ccccc2)cc1
InChIInChI=1S/C21H22N2O3/c1-15-9-11-16(12-10-15)20-18(21(25)22-13-5-8-19(22)24)14-26-23(20)17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3/t18-,20+/m0/s1
InChIKeyKTONAGCZGSWASH-AZUAARDMSA-N
XLogP3.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4S)-4-(benzenesulfonyl)-2-(4-methylphenyl)-3-phenyl-1,2-oxazolidine
CID 11003382
(5R,6S)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738417
(5R,6R)-1-methyl-6-(4-methylphenyl)-5-(piperidine-1-carbonyl)piperidin-2-one
CID 95738418
(4S,5R)-4-(azepane-1-carbonyl)-1-methyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 97457246
(4R,5R)-1-methyl-5-(4-methylphenyl)-4-(thiomorpholine-4-carbonyl)pyrrolidin-2-one
CID 97457264
(3S,3aR,6aS)-5-methyl-3-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7013592
(3S,3aR,6aS)-3-(4-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 1384547
5-methylbenzene-1,3-dicarboxylic acid;1-phenylpyrrolidin-2-one
CID 174500100
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one
CID 13001699
[(3R,5S)-5-acetyl-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate
CID 102000998
(5R,6S)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-(4-methylphenyl)piperidin-2-one
CID 98768946

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one (CID 101201943) is 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one is Cc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3=O)CON2c2ccccc2)cc1.
What is the InChIKey of 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one?
The InChIKey is KTONAGCZGSWASH-AZUAARDMSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-15-9-11-16(12-10-15)20-18(21(25)22-13-5-8-19(22)24)14-26-23(20)17-6-3-2-4-7-17/h2-4,6-7,9-12,18,20H,5,8,13-14H2,1H3/t18-,20+/m0/s1.
What are the key properties of 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one?
1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-3-(4-methylphenyl)-2-phenyl-1,2-oxazolidine-4-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 101201943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).