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

• ChemBase ID: 866014
• Molecular Formular: C16H20ClN5O
• Molecular Mass: 333.8159
• Monoisotopic Mass: 333.13563797
• SMILES: n12c(c(nc1ccc(c2)Cl)C)CN(Cc1nc(on1)C)C(C)C
• Canonical SMILES: Clc1ccc2n(c1)c(CN(C(C)C)Cc1noc(n1)C)c(n2)C
• InChI: InChI=1S/C16H20ClN5O/c1-10(2)21(9-15-19-12(4)23-20-15)8-14-11(3)18-16-6-5-13(17)7-22(14)16/h5-7,10H,8-9H2,1-4H3
• InChIKey: GFVIDTHSWNCPBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6413509
• LogD (pH = 7.4): 2.469182
• Log P: 2.4989552
• Molar Refractivity: 92.1004 cm^3
• Polarizability: 34.151276 Å^3
• Polar Surface Area: 59.46 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.21
• LOG S: -2.51
• Polar Surface Area: 59.46 Å^2
• Rotatable Bonds: 5