(4R)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one

• ChemBase ID: 92247
• Molecular Formular: C12H13NO3
• Molecular Mass: 219.23652
• Monoisotopic Mass: 219.08954328
• SMILES: O1C(=O)N([C@@H](C1)Cc1ccccc1)C(=O)C
• Canonical SMILES: CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
• InChI: InChI=1S/C12H13NO3/c1-9(14)13-11(8-16-12(13)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3/t11-/m1/s1
• InChIKey: YMVGXIZVSPMNPD-LLVKDONJSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 132836-66-9
• MDL Number: MFCD00191701
• PubChem SID: 162078945
• PubChem CID: 735930

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7026637
• LogD (pH = 7.4): 1.7026637
• Log P: 1.7026637
• Molar Refractivity: 57.6209 cm^3
• Polarizability: 22.638113 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true