2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine

• ChemBase编号: 709379
• 分子式: C18H21N5O4
• 平均质量: 371.39044
• 单一同位素质量: 371.15935418
• SMILES: c1(nc2n(c1)cc(cc2)C)C(=O)N1CC(Cc2nc(no2)COC)OCC1
• Canonical SMILES: COCc1noc(n1)CC1OCCN(C1)C(=O)c1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C18H21N5O4/c1-12-3-4-16-19-14(10-23(16)8-12)18(24)22-5-6-26-13(9-22)7-17-20-15(11-25-2)21-27-17/h3-4,8,10,13H,5-7,9,11H2,1-2H3
• InChIKey: XAHCMDDZGBIWLM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• IUPAC传统名: 2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-{6-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• 别名: 2-[(2-{[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-morpholinyl)carbonyl]-6-methylimidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 1.0222696
• LogD (pH = 7.4): 1.0311339
• Log P: 1.0312481
• 摩尔折射率: 98.555 cm^3
• 极化性: 36.251736 Å^3
• 极化表面积: 94.99 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: 7
• 质子供体: 0
• Log P: -0.51
• LOG S: -2.78
• 极化表面积: 94.99 Å^2
• 可自由旋转的化学键: 5