(4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C19H18ClNO3 — CID 139070118

IUPAC(4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO3/c1-12(14-8-10-16(20)11-9-14)18(22)21-13(2)17(24-19(21)23)15-6-4-3-5-7-15/h3-13,17H,1-2H3/t12-,13-,17-/m1/s1
InChIKeyAWJQNJKEURLXJM-PBFPGSCMSA-N
MW343.81 g/mol
LogP4.55
Rot. Bonds3

About (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 139070118) has the molecular formula C19H18ClNO3 and a molecular weight of 343.81 g/mol. Its IUPAC name is (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID139070118
Molecular FormulaC19H18ClNO3
Molecular Weight343.81 g/mol
Exact Mass343.10
IUPAC Name(4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](C)c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClNO3/c1-12(14-8-10-16(20)11-9-14)18(22)21-13(2)17(24-19(21)23)15-6-4-3-5-7-15/h3-13,17H,1-2H3/t12-,13-,17-/m1/s1
InChIKeyAWJQNJKEURLXJM-PBFPGSCMSA-N
XLogP4.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-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

(4R,5R)-5-[(S)-(3-Chloro-phenyl)-methoxy-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44398015
Benzyl 1-acetyl-2-(4-chlorobenzyl)pyrrolidine-2-carboxylate
CID 46884647
(2R,6S,E)-6-(4-chlorobenzyl)-4-methyl-2-phenyl-1-oxa-4-azacyclododec-8-ene-5,12-dione
CID 71451242
(4R,5R)-5-[(S)-(4-Chloro-phenyl)-hydroxy-methyl]-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397742
2-Chlorobenzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46884835
3-Chlorobenzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46884836
4-Chlorobenzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
CID 46884869
1-Phenyl-2-(pyrrolidin-1-yl)ethyl 4-chlorobenzoate--hydrogen chloride (1/1)
CID 3066307
Acetic acid (4-chloro-phenyl)-cyclohexylcarbamoyl-methyl ester
CID 3230482
1-[2-[Bis(4-chlorophenyl)methoxy]ethyl]pyrrolidin-2-one
CID 11726266
US11141410, Example 66
CID 129273411
(4R,5S)-3-[(2R)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 15402825

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 139070118) is (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)OC(=O)N1C(=O)[C@H](C)c1ccc(Cl)cc1.
What is the InChIKey of (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is AWJQNJKEURLXJM-PBFPGSCMSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-12(14-8-10-16(20)11-9-14)18(22)21-13(2)17(24-19(21)23)15-6-4-3-5-7-15/h3-13,17H,1-2H3/t12-,13-,17-/m1/s1.
What are the key properties of (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 343.81 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-[(2R)-2-(4-chlorophenyl)propanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139070118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).