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

• ChemBase ID: 612869
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1noc(c1)C(C)C
• Canonical SMILES: O=C(c1noc(c1)C(C)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H18N4O2/c1-9(2)11-7-10(17-20-11)14(19)16-13-8-15-12-5-3-4-6-18(12)13/h7-9H,3-6H2,1-2H3,(H,16,19)
• InChIKey: OLFIWDJAFZWZCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.963017
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2383298
• LogD (pH = 7.4): 1.862975
• Log P: 1.8917164
• Molar Refractivity: 75.8486 cm^3
• Polarizability: 27.722797 Å^3
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.01
• LOG S: -2.06
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 3