(4Z)-4-(phenylmethylidene)-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one

• ChemBase ID: 181976
• Molecular Formular: C19H17NO5
• Molecular Mass: 339.34198
• Monoisotopic Mass: 339.11067265
• SMILES: C1(=N/C(=C\c2ccccc2)/C(=O)O1)c1cc(c(c(c1)OC)OC)OC
• Canonical SMILES: COc1cc(cc(c1OC)OC)C1=N/C(=C\c2ccccc2)/C(=O)O1
• InChI: InChI=1S/C19H17NO5/c1-22-15-10-13(11-16(23-2)17(15)24-3)18-20-14(19(21)25-18)9-12-7-5-4-6-8-12/h4-11H,1-3H3/b14-9-
• InChIKey: YWBPSVGCDWIZBU-ZROIWOOFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4Z)-4-(phenylmethylidene)-2-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-5-one
• IUPAC Traditional name: (4Z)-4-(phenylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one

Database IDs

• PubChem SID: 164237886
• PubChem CID: 1712682

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3673642
• LogD (pH = 7.4): 3.3673644
• Log P: 3.3673644
• Molar Refractivity: 93.2182 cm^3
• Polarizability: 35.42707 Å^3
• Polar Surface Area: 66.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds