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

• ChemBase ID: 798728
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: O1C(=O)N[C@@H](C1)Cc1ccccc1
• Canonical SMILES: O=C1OC[C@H](N1)Cc1ccccc1
• InChI: InChI=1S/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)/t9-/m1/s1
• InChIKey: OJOFMLDBXPDXLQ-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4R)-4-benzyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: (4R)-4-benzyl-1,3-oxazolidin-2-one
• Synonyms: (r)-4-benzyl-2-oxazolidinone

Database IDs

• CAS Number: 102029-44-7

CALCULATED PROPERTIES

• Acid pKa: 13.030782
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7140553
• LogD (pH = 7.4): 1.7140545
• Log P: 1.7140553
• Molar Refractivity: 48.055 cm^3
• Polarizability: 18.866823 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%