(4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one

• ChemBase ID: 184243
• Molecular Formular: C18H15NO4
• Molecular Mass: 309.316
• Monoisotopic Mass: 309.10010797
• SMILES: N1=C(OC(=O)/C/1=C/c1cc(c(cc1)OC)OC)c1ccccc1
• Canonical SMILES: COc1cc(ccc1OC)/C=C/1\N=C(OC1=O)c1ccccc1
• InChI: InChI=1S/C18H15NO4/c1-21-15-9-8-12(11-16(15)22-2)10-14-18(20)23-17(19-14)13-6-4-3-5-7-13/h3-11H,1-2H3/b14-10-
• InChIKey: LICJICSNXOUQAI-UVTDQMKNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-4,5-dihydro-1,3-oxazol-5-one
• IUPAC Traditional name: (4Z)-4-[(3,4-dimethoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one

Database IDs

• PubChem SID: 164240153
• PubChem CID: 679780

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5250354
• LogD (pH = 7.4): 3.5250356
• Log P: 3.5250356
• Molar Refractivity: 86.755 cm^3
• Polarizability: 32.896667 Å^3
• Polar Surface Area: 57.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds