N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 411677
• Molecular Formular: C14H14N4O2
• Molecular Mass: 270.28656
• Monoisotopic Mass: 270.11167571
• SMILES: c1(cn2c(nc(c2)C)cc1)C(=O)N(Cc1oncc1)C
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)N(Cc1ccno1)C
• InChI: InChI=1S/C14H14N4O2/c1-10-7-18-8-11(3-4-13(18)16-10)14(19)17(2)9-12-5-6-15-20-12/h3-8H,9H2,1-2H3
• InChIKey: UQXVEBBWVMPYRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-(1,2-oxazol-5-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(isoxazol-5-ylmethyl)-N,2-dimethylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.4519394
• LogD (pH = 7.4): 0.1773372
• Log P: 0.19793166
• Molar Refractivity: 75.3318 cm^3
• Polarizability: 27.181824 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.29
• LOG S: -2.23
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 3