(4S)-3-[2-(3-chlorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one

• ChemBase ID: 54978
• Molecular Formular: C17H14ClNO3
• Molecular Mass: 315.75096
• Monoisotopic Mass: 315.06622099
• SMILES: O1C(=O)N([C@H](C1)c1ccccc1)C(=O)Cc1cc(ccc1)Cl
• Canonical SMILES: Clc1cccc(c1)CC(=O)N1C(=O)OC[C@@H]1c1ccccc1
• InChI: InChI=1S/C17H14ClNO3/c18-14-8-4-5-12(9-14)10-16(20)19-15(11-22-17(19)21)13-6-2-1-3-7-13/h1-9,15H,10-11H2/t15-/m1/s1
• InChIKey: DFFGUPIVHPCCGK-OAHLLOKOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-3-[2-(3-chlorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4S)-3-[2-(3-chlorophenyl)acetyl]-4-phenyl-1,3-oxazolidin-2-one
• Synonyms: (S)-3-(2-(3-Chlorophenyl)acetyl)-4-phenyloxazolidin-2-one

Database IDs

• MDL Number: MFCD19442211
• PubChem SID: 162059741
• PubChem CID: 56773442

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.852387
• LogD (pH = 7.4): 3.852387
• Log P: 3.852387
• Molar Refractivity: 82.3926 cm^3
• Polarizability: 32.249306 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 88%