({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(ethyl){[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 653665
• Molecular Formular: C16H20ClN5O2
• Molecular Mass: 349.8153
• Monoisotopic Mass: 349.13055259
• SMILES: n12c(c(nc1ccc(c2)Cl)C)CN(Cc1nc(no1)COC)CC
• Canonical SMILES: COCc1noc(n1)CN(Cc1c(C)nc2n1cc(Cl)cc2)CC
• InChI: InChI=1S/C16H20ClN5O2/c1-4-21(9-16-19-14(10-23-3)20-24-16)8-13-11(2)18-15-6-5-12(17)7-22(13)15/h5-7H,4,8-10H2,1-3H3
• InChIKey: YTNOZMZRGFGVEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(ethyl){[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: ({6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl}methyl)(ethyl){[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: N-[(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-N-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8162244
• LogD (pH = 7.4): 1.8166076
• Log P: 1.8588909
• Molar Refractivity: 94.135 cm^3
• Polarizability: 34.94949 Å^3
• Polar Surface Area: 68.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.41
• LOG S: -1.95
• Polar Surface Area: 68.69 Å^2
• Rotatable Bonds: 7