5,5-dimethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one

• ChemBase ID: 219075
• Molecular Formular: C12H13NO2
• Molecular Mass: 203.23712
• Monoisotopic Mass: 203.09462866
• SMILES: C1(=O)N(C(=C)C(O1)(C)C)c1ccccc1
• Canonical SMILES: O=C1OC(C(=C)N1c1ccccc1)(C)C
• InChI: InChI=1S/C12H13NO2/c1-9-12(2,3)15-11(14)13(9)10-7-5-4-6-8-10/h4-8H,1H2,2-3H3
• InChIKey: JYECHXPYSUZVDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
• IUPAC Traditional name: 5,5-dimethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one

Database IDs

• PubChem SID: 164274985
• PubChem CID: 303451

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.440146
• LogD (pH = 7.4): 2.440146
• Log P: 2.440146
• Molar Refractivity: 57.5112 cm^3
• Polarizability: 22.288866 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds