2-(2-oxo-1,3-oxazolidin-3-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide

• ChemBase编号: 779117
• 分子式: C13H14N4O3
• 平均质量: 274.27526
• 单一同位素质量: 274.10659033
• SMILES: n12c(c(cn1)CNC(=O)CN1C(=O)OCC1)cccc2
• Canonical SMILES: O=C(CN1CCOC1=O)NCc1cnn2c1cccc2
• InChI: InChI=1S/C13H14N4O3/c18-12(9-16-5-6-20-13(16)19)14-7-10-8-15-17-4-2-1-3-11(10)17/h1-4,8H,5-7,9H2,(H,14,18)
• InChIKey: IMIMUPQTHBHEEE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-oxo-1,3-oxazolidin-3-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• IUPAC传统名: 2-(2-oxo-1,3-oxazolidin-3-yl)-N-{pyrazolo[1,5-a]pyridin-3-ylmethyl}acetamide
• 别名: 2-(2-oxo-1,3-oxazolidin-3-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

理论计算性质

JChem

• Acid pKa: 14.7323
• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): 0.013899949
• LogD (pH = 7.4): 0.013956314
• Log P: 0.013957051
• 摩尔折射率: 81.2499 cm^3
• 极化性: 27.420868 Å^3
• 极化表面积: 75.94 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 1
• Log P: 0.0
• LOG S: -2.51
• 极化表面积: 75.94 Å^2
• 可自由旋转的化学键: 4