(4E)-4-[(4-methoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

• ChemBase ID: 181079
• Molecular Formular: C20H19NO6
• Molecular Mass: 369.36796
• Monoisotopic Mass: 369.12123733
• SMILES: C1(=N/C(=C/c2ccc(cc2)OC)/C(=O)O1)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1ccc(cc1)/C=C\1/N=C(OC1=O)c1cc(OC)c(c(c1)OC)OC
• InChI: InChI=1S/C20H19NO6/c1-23-14-7-5-12(6-8-14)9-15-20(22)27-19(21-15)13-10-16(24-2)18(26-4)17(11-13)25-3/h5-11H,1-4H3/b15-9+
• InChIKey: CVLGHPQLNQKPDW-OQLLNIDSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4E)-4-[(4-methoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one
• IUPAC Traditional name: (4E)-4-[(4-methoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one

Database IDs

• PubChem SID: 164236989
• PubChem CID: 1241387

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.209693
• LogD (pH = 7.4): 3.2096932
• Log P: 3.2096932
• Molar Refractivity: 99.6814 cm^3
• Polarizability: 37.96016 Å^3
• Polar Surface Area: 75.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds