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

• ChemBase ID: 92248
• Molecular Formular: C11H11NO3
• Molecular Mass: 205.20994
• Monoisotopic Mass: 205.07389322
• SMILES: N1([C@@H](c2ccccc2)COC1=O)C(=O)C
• Canonical SMILES: CC(=O)N1C(=O)OC[C@@H]1c1ccccc1
• InChI: InChI=1S/C11H11NO3/c1-8(13)12-10(7-15-11(12)14)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3/t10-/m1/s1
• InChIKey: XALZBROPIGPSAQ-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4S)-3-acetyl-4-phenyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4S)-3-acetyl-4-phenyl-1,3-oxazolidin-2-one
• Synonyms: (4R)-3-Acetyl-4-phenyl-1,3-oxazolidin-2-one

Database IDs

• CAS Number: 154669-73-5
• MDL Number: MFCD06200826
• PubChem SID: 162078946
• PubChem CID: 10655838

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4140024
• LogD (pH = 7.4): 1.4140024
• Log P: 1.4140024
• Molar Refractivity: 52.8659 cm^3
• Polarizability: 20.801168 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true