N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide

• ChemBase ID: 859312
• Molecular Formular: C18H16N4O3
• Molecular Mass: 336.34464
• Monoisotopic Mass: 336.12224039
• SMILES: n1(c(=O)oc2c1cccc2)CC(=O)NCCc1n2c(nc1)cccc2
• Canonical SMILES: O=C(Cn1c(=O)oc2c1cccc2)NCCc1cnc2n1cccc2
• InChI: InChI=1S/C18H16N4O3/c23-17(12-22-14-5-1-2-6-15(14)25-18(22)24)19-9-8-13-11-20-16-7-3-4-10-21(13)16/h1-7,10-11H,8-9,12H2,(H,19,23)
• InChIKey: LYCLJIKKBIDZGU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-3-yl}ethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
• Synonyms: N-(2-imidazo[1,2-a]pyridin-3-ylethyl)-2-(2-oxo-1,3-benzoxazol-3(2H)-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.744588
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.13565628
• LogD (pH = 7.4): 0.545379
• Log P: 0.581147
• Molar Refractivity: 91.4175 cm^3
• Polarizability: 34.454678 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.25
• LOG S: -2.72
• Polar Surface Area: 81.54 Å^2
• Rotatable Bonds: 5