N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5-propyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 320022
• Molecular Formular: C14H17N5O
• Molecular Mass: 271.31768
• Monoisotopic Mass: 271.14331019
• SMILES: n12c(nc(c1)CNc1oc(nn1)CCC)cccc2C
• Canonical SMILES: CCCc1nnc(o1)NCc1cn2c(n1)cccc2C
• InChI: InChI=1S/C14H17N5O/c1-3-5-13-17-18-14(20-13)15-8-11-9-19-10(2)6-4-7-12(19)16-11/h4,6-7,9H,3,5,8H2,1-2H3,(H,15,18)
• InChIKey: USEDLQBJTPTCFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5-propyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)-5-propyl-1,3,4-oxadiazol-2-amine
• Synonyms: N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.795124
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.6042485
• LogD (pH = 7.4): 1.1514596
• Log P: 1.1716928
• Molar Refractivity: 79.4378 cm^3
• Polarizability: 28.193674 Å^3
• Polar Surface Area: 68.25 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: 2.02
• LOG S: -2.9
• Polar Surface Area: 68.25 Å^2
• Rotatable Bonds: 5