N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 839995
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: c1(cc(no1)CC(C)C)C(=O)NCc1nc(no1)C1CCCCC1
• Canonical SMILES: CC(Cc1noc(c1)C(=O)NCc1onc(n1)C1CCCCC1)C
• InChI: InChI=1S/C17H24N4O3/c1-11(2)8-13-9-14(23-20-13)17(22)18-10-15-19-16(21-24-15)12-6-4-3-5-7-12/h9,11-12H,3-8,10H2,1-2H3,(H,18,22)
• InChIKey: AJLMHRLOKGNCFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
• Synonyms: N-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]-3-isobutyl-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.074543
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.103738
• LogD (pH = 7.4): 3.1036558
• Log P: 3.10374
• Molar Refractivity: 90.1029 cm^3
• Polarizability: 33.306255 Å^3
• Polar Surface Area: 94.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.14
• LOG S: -3.45
• Polar Surface Area: 94.05 Å^2
• Rotatable Bonds: 6