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

• ChemBase ID: 596594
• Molecular Formular: C26H25N3O6
• Molecular Mass: 475.4932
• Monoisotopic Mass: 475.17433554
• SMILES: n1c(oc(c1CNC(=O)COc1c(OC)cccc1)C)c1cc(NC(=O)c2c(occ2)C)ccc1
• Canonical SMILES: COc1ccccc1OCC(=O)NCc1nc(oc1C)c1cccc(c1)NC(=O)c1ccoc1C
• InChI: InChI=1S/C26H25N3O6/c1-16-20(11-12-33-16)25(31)28-19-8-6-7-18(13-19)26-29-21(17(2)35-26)14-27-24(30)15-34-23-10-5-4-9-22(23)32-3/h4-13H,14-15H2,1-3H3,(H,27,30)(H,28,31)
• InChIKey: XCSFNIQKRMCUGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.75191
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.956475
• LogD (pH = 7.4): 2.9564614
• Log P: 2.9564795
• Molar Refractivity: 140.0356 cm^3
• Polarizability: 49.142563 Å^3
• Polar Surface Area: 115.83 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 2.45
• LOG S: -5.4
• Polar Surface Area: 115.83 Å^2
• Rotatable Bonds: 8