N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide

• ChemBase ID: 836106
• Molecular Formular: C24H28N4O4
• Molecular Mass: 436.50352
• Monoisotopic Mass: 436.2110554
• SMILES: c1(nc(c(o1)C)CNC(=O)c1c(onc1C)C)c1c(NC(=O)CC2CCCC2)cccc1
• Canonical SMILES: O=C(Nc1ccccc1c1oc(c(n1)CNC(=O)c1c(C)noc1C)C)CC1CCCC1
• InChI: InChI=1S/C24H28N4O4/c1-14-22(16(3)32-28-14)23(30)25-13-20-15(2)31-24(27-20)18-10-6-7-11-19(18)26-21(29)12-17-8-4-5-9-17/h6-7,10-11,17H,4-5,8-9,12-13H2,1-3H3,(H,25,30)(H,26,29)
• InChIKey: UEEZHVUUVBXMQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
• IUPAC Traditional name: N-({2-[2-(2-cyclopentylacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
• Synonyms: N-[(2-{2-[(cyclopentylacetyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-3,5-dimethyl-4-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.583685
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.8104398
• LogD (pH = 7.4): 2.8104496
• Log P: 2.8104525
• Molar Refractivity: 132.3067 cm^3
• Polarizability: 45.520046 Å^3
• Polar Surface Area: 110.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.71
• LOG S: -6.73
• Polar Surface Area: 110.26 Å^2
• Rotatable Bonds: 7