2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide

• ChemBase编号: 831331
• 分子式: C18H17N5O3
• 平均质量: 351.35928
• 单一同位素质量: 351.13313943
• SMILES: c12n(c(CC(=O)N(Cc3ncoc3)Cc3ncoc3)cn1)cccc2C
• Canonical SMILES: O=C(N(Cc1cocn1)Cc1cocn1)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C18H17N5O3/c1-13-3-2-4-23-16(6-19-18(13)23)5-17(24)22(7-14-9-25-11-20-14)8-15-10-26-12-21-15/h2-4,6,9-12H,5,7-8H2,1H3
• InChIKey: NZNZMNSFBBDMPY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide
• IUPAC传统名: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide
• 别名: 2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): -0.827471
• LogD (pH = 7.4): -0.08449352
• Log P: -0.03319747
• 摩尔折射率: 93.3779 cm^3
• 极化性: 34.829185 Å^3
• 极化表面积: 89.67 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: -0.07
• LOG S: -3.01
• 极化表面积: 89.67 Å^2
• 可自由旋转的化学键: 6