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

• ChemBase ID: 368757
• Molecular Formular: C23H31N3O3
• Molecular Mass: 397.51054
• Monoisotopic Mass: 397.23654187
• SMILES: c1(nc(c(o1)C)CNC(=O)C(C)(C)C)c1c(NC(=O)CC2CCCC2)cccc1
• Canonical SMILES: O=C(Nc1ccccc1c1nc(c(o1)C)CNC(=O)C(C)(C)C)CC1CCCC1
• InChI: InChI=1S/C23H31N3O3/c1-15-19(14-24-22(28)23(2,3)4)26-21(29-15)17-11-7-8-12-18(17)25-20(27)13-16-9-5-6-10-16/h7-8,11-12,16H,5-6,9-10,13-14H2,1-4H3,(H,24,28)(H,25,27)
• InChIKey: UXAKDBZBXUHVAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.700644
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 4.060334
• LogD (pH = 7.4): 4.0603356
• Log P: 4.0603375
• Molar Refractivity: 124.1554 cm^3
• Polarizability: 43.96357 Å^3
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.43
• LOG S: -5.69
• Polar Surface Area: 84.23 Å^2
• Rotatable Bonds: 7