N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-(propan-2-yl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 536148
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: c1(C(=O)Nc2n3c(nc2)CCCC3)c(ocn1)C(C)C
• Canonical SMILES: O=C(c1ncoc1C(C)C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C14H18N4O2/c1-9(2)13-12(16-8-20-13)14(19)17-11-7-15-10-5-3-4-6-18(10)11/h7-9H,3-6H2,1-2H3,(H,17,19)
• InChIKey: QIMAFVJENVKLTO-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)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-isopropyl-1,3-oxazole-4-carboxamide
• Synonyms: 5-isopropyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.13955
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8156965
• LogD (pH = 7.4): 1.4408325
• Log P: 1.4690623
• Molar Refractivity: 75.116 cm^3
• Polarizability: 27.718645 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: 1.05
• LOG S: -2.1
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 3