5-benzyl-1,3-oxazolidin-2-one

• ChemBase ID: 249085
• Molecular Formular: C10H11NO2
• Molecular Mass: 177.19984
• Monoisotopic Mass: 177.0789786
• SMILES: C1(=O)NCC(O1)Cc1ccccc1
• Canonical SMILES: O=C1NCC(O1)Cc1ccccc1
• InChI: InChI=1S/C10H11NO2/c12-10-11-7-9(13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
• InChIKey: DLBSGOZFSFUDKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5-benzyl-1,3-oxazolidin-2-one
• Synonyms: 5-benzyl-1,3-oxazolidin-2-one

Database IDs

• MDL Number: MFCD01755618
• PubChem SID: 164304995
• PubChem CID: 3039271

CALCULATED PROPERTIES

• Acid pKa: 13.329881
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.7140553
• LogD (pH = 7.4): 1.7140548
• Log P: 1.7140553
• Molar Refractivity: 48.055 cm^3
• Polarizability: 18.866686 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.325

Product Information

• Purity: 95%