N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 840644
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)C(=O)Nc1cnc2n1CCCC2)C
• InChI: InChI=1S/C15H20N4O2/c1-10(2)7-11-8-12(21-18-11)15(20)17-14-9-16-13-5-3-4-6-19(13)14/h8-10H,3-7H2,1-2H3,(H,17,20)
• InChIKey: YUSYALYAPPLUMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
• Synonyms: 3-isobutyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)isoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.498
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2515252
• LogD (pH = 7.4): 1.8709666
• Log P: 1.9023043
• Molar Refractivity: 80.3208 cm^3
• Polarizability: 29.551764 Å^3
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.34
• LOG S: -2.45
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 4