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

• ChemBase ID: 332542
• Molecular Formular: C24H28N4O4
• Molecular Mass: 436.50352
• Monoisotopic Mass: 436.2110554
• SMILES: c1(nc(c(o1)C)CNC(=O)c1noc(c1)CC)c1c(NC(=O)CC2CCCC2)cccc1
• Canonical SMILES: CCc1onc(c1)C(=O)NCc1nc(oc1C)c1ccccc1NC(=O)CC1CCCC1
• InChI: InChI=1S/C24H28N4O4/c1-3-17-13-20(28-32-17)23(30)25-14-21-15(2)31-24(27-21)18-10-6-7-11-19(18)26-22(29)12-16-8-4-5-9-16/h6-7,10-11,13,16H,3-5,8-9,12,14H2,1-2H3,(H,25,30)(H,26,29)
• InChIKey: QXFLIBADVXMVJY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.080482
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 3.5874517
• LogD (pH = 7.4): 3.5874467
• Log P: 3.587455
• Molar Refractivity: 131.8672 cm^3
• Polarizability: 45.600967 Å^3
• Polar Surface Area: 110.26 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: 2.65
• LOG S: -6.8
• Polar Surface Area: 110.26 Å^2
• Rotatable Bonds: 7