N-[(2-{3-[2-(4-methoxyphenyl)acetamido]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-2-methylfuran-3-carboxamide

• ChemBase ID: 516753
• Molecular Formular: C26H25N3O5
• Molecular Mass: 459.4938
• Monoisotopic Mass: 459.17942092
• SMILES: n1c(oc(c1CNC(=O)c1c(occ1)C)C)c1cc(NC(=O)Cc2ccc(cc2)OC)ccc1
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1cccc(c1)c1oc(c(n1)CNC(=O)c1ccoc1C)C
• InChI: InChI=1S/C26H25N3O5/c1-16-22(11-12-33-16)25(31)27-15-23-17(2)34-26(29-23)19-5-4-6-20(14-19)28-24(30)13-18-7-9-21(32-3)10-8-18/h4-12,14H,13,15H2,1-3H3,(H,27,31)(H,28,30)
• InChIKey: DUOAKGMOIQMZML-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-{3-[2-(4-methoxyphenyl)acetamido]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-2-methylfuran-3-carboxamide
• IUPAC Traditional name: N-[(2-{3-[2-(4-methoxyphenyl)acetamido]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-2-methylfuran-3-carboxamide
• Synonyms: N-{[2-(3-{[(4-methoxyphenyl)acetyl]amino}phenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-methyl-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.549668
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.2739115
• LogD (pH = 7.4): 3.2739155
• Log P: 3.273916
• Molar Refractivity: 138.7954 cm^3
• Polarizability: 48.25129 Å^3
• Polar Surface Area: 106.6 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 2.8
• LOG S: -6.76
• Polar Surface Area: 106.6 Å^2
• Rotatable Bonds: 7