N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase编号: 737186
• 分子式: C15H16FN5O2
• 平均质量: 317.3182432
• 单一同位素质量: 317.128803
• SMILES: c1(c(n2c(n1)cccc2)F)C(=O)N(Cc1nnc(o1)CC)CC
• Canonical SMILES: CCc1nnc(o1)CN(C(=O)c1nc2n(c1F)cccc2)CC
• InChI: InChI=1S/C15H16FN5O2/c1-3-11-18-19-12(23-11)9-20(4-2)15(22)13-14(16)21-8-6-5-7-10(21)17-13/h5-8H,3-4,9H2,1-2H3
• InChIKey: HLHFQPONEQMGJQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC传统名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide
• 别名: N-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-3-fluoroimidazo[1,2-a]pyridine-2-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.43427384
• LogD (pH = 7.4): 0.4343452
• Log P: 0.43434608
• 摩尔折射率: 83.2885 cm^3
• 极化性: 29.765392 Å^3
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 0
• Log P: 0.61
• LOG S: -2.04
• 极化表面积: 76.53 Å^2
• 可自由旋转的化学键: 5