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

• ChemBase ID: 735274
• Molecular Formular: C25H25N5O5
• Molecular Mass: 475.4965
• Monoisotopic Mass: 475.18556893
• SMILES: c1(cc(n[nH]1)c1ccc(cc1)OC)C(=O)NCc1nc(oc1C)c1cc(NC(=O)COC)ccc1
• Canonical SMILES: COCC(=O)Nc1cccc(c1)c1nc(c(o1)C)CNC(=O)c1[nH]nc(c1)c1ccc(cc1)OC
• InChI: InChI=1S/C25H25N5O5/c1-15-22(28-25(35-15)17-5-4-6-18(11-17)27-23(31)14-33-2)13-26-24(32)21-12-20(29-30-21)16-7-9-19(34-3)10-8-16/h4-12H,13-14H2,1-3H3,(H,26,32)(H,27,31)(H,29,30)
• InChIKey: FHGLBECINNVLGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
• IUPAC Traditional name: N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-5-(4-methoxyphenyl)-2H-pyrazole-3-carboxamide
• Synonyms: N-[(2-{3-[(methoxyacetyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.453612
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 2.1828349
• LogD (pH = 7.4): 2.1791804
• Log P: 2.1829085
• Molar Refractivity: 141.1929 cm^3
• Polarizability: 50.3128 Å^3
• Polar Surface Area: 131.37 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 3
• Log P: 3.03
• LOG S: -6.39
• Polar Surface Area: 131.37 Å^2
• Rotatable Bonds: 7