2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase编号: 744977
• 分子式: C18H17N5O3
• 平均质量: 351.35928
• 单一同位素质量: 351.13313943
• SMILES: c1(n2c(nc1C)cc(cc2)C)C(=O)N(Cc1ncoc1)Cc1ncoc1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2C(=O)N(Cc1cocn1)Cc1cocn1)C
• InChI: InChI=1S/C18H17N5O3/c1-12-3-4-23-16(5-12)21-13(2)17(23)18(24)22(6-14-8-25-10-19-14)7-15-9-26-11-20-15/h3-5,8-11H,6-7H2,1-2H3
• InChIKey: NBZPBPOIZIKZSX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC传统名: 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
• 别名: 2,7-dimethyl-N,N-bis(1,3-oxazol-4-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.048374936
• LogD (pH = 7.4): 0.11705269
• Log P: 0.11800732
• 摩尔折射率: 93.918 cm^3
• 极化性: 34.558743 Å^3
• 极化表面积: 89.67 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: 6
• 质子供体: 0
• Log P: 0.49
• LOG S: -2.18
• 极化表面积: 89.67 Å^2
• 可自由旋转的化学键: 5