N'-[3-(2-methoxybenzamido)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanediamide

• ChemBase ID: 785540
• Molecular Formular: C20H18N4O5
• Molecular Mass: 394.38072
• Monoisotopic Mass: 394.1277197
• SMILES: C(=O)(c1c(OC)cccc1)Nc1cc(NC(=O)C(=O)Nc2noc(c2)C)ccc1
• Canonical SMILES: COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)C(=O)Nc1noc(c1)C
• InChI: InChI=1S/C20H18N4O5/c1-12-10-17(24-29-12)23-20(27)19(26)22-14-7-5-6-13(11-14)21-18(25)15-8-3-4-9-16(15)28-2/h3-11H,1-2H3,(H,21,25)(H,22,26)(H,23,24,27)
• InChIKey: DUKQQQLRPTYTAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[3-(2-methoxybenzamido)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanediamide
• IUPAC Traditional name: N'-[3-(2-methoxybenzamido)phenyl]-N-(5-methyl-1,2-oxazol-3-yl)ethanediamide
• Synonyms: N-{3-[(2-methoxybenzoyl)amino]phenyl}-N'-(5-methylisoxazol-3-yl)ethanediamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.149036
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 2.6976206
• LogD (pH = 7.4): 2.6968954
• Log P: 2.69763
• Molar Refractivity: 109.8951 cm^3
• Polarizability: 38.952564 Å^3
• Polar Surface Area: 122.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: 0.36
• LOG S: -2.38
• Polar Surface Area: 122.56 Å^2
• Rotatable Bonds: 6