(2R,4S)-3-benzoyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one

• ChemBase ID: 160967
• Molecular Formular: C17H15NO3
• Molecular Mass: 281.3059
• Monoisotopic Mass: 281.10519335
• SMILES: O1C(=O)[C@@H](N([C@H]1c1ccccc1)C(=O)c1ccccc1)C
• Canonical SMILES: C[C@H]1C(=O)O[C@@H](N1C(=O)c1ccccc1)c1ccccc1
• InChI: InChI=1S/C17H15NO3/c1-12-17(20)21-16(14-10-6-3-7-11-14)18(12)15(19)13-8-4-2-5-9-13/h2-12,16H,1H3/t12-,16+/m0/s1
• InChIKey: XWBOGYZALFWLOF-BLLLJJGKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4S)-3-benzoyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
• IUPAC Traditional name: (2R,4S)-3-benzoyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one
• Synonyms: (2R-trans)-3-Benzoyl-4-methyl-2-phenyl-5-oxazolidinone; (2R,4S)-3-Benzoyl-4-methyl-2-phenyl-5-oxazolidinone

Database IDs

• CAS Number: 113806-28-3
• PubChem SID: 162255102
• PubChem CID: 11065866

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.3427062
• LogD (pH = 7.4): 3.3427062
• Log P: 3.3427062
• Molar Refractivity: 77.6586 cm^3
• Polarizability: 30.148554 Å^3
• Polar Surface Area: 46.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: White Solid