2-[3-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide

• ChemBase ID: 401211
• Molecular Formular: C16H18N6O2
• Molecular Mass: 326.35312
• Monoisotopic Mass: 326.14912385
• SMILES: c1(c2nc(on2)C2CN(CC(=O)N)CCC2)nc2n(c1)cccc2
• Canonical SMILES: NC(=O)CN1CCCC(C1)c1onc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C16H18N6O2/c17-13(23)10-21-6-3-4-11(8-21)16-19-15(20-24-16)12-9-22-7-2-1-5-14(22)18-12/h1-2,5,7,9,11H,3-4,6,8,10H2,(H2,17,23)
• InChIKey: HRRVUSVETORYMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
• IUPAC Traditional name: 2-[3-(3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazol-5-yl)piperidin-1-yl]acetamide
• Synonyms: 2-[3-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-piperidinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.526868
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.68672216
• LogD (pH = 7.4): 0.8211626
• Log P: 1.014773
• Molar Refractivity: 99.5114 cm^3
• Polarizability: 33.53598 Å^3
• Polar Surface Area: 102.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.32
• LOG S: -2.71
• Polar Surface Area: 102.55 Å^2
• Rotatable Bonds: 4