{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine

• ChemBase编号: 315764
• 分子式: C12H19N5O2
• 平均质量: 265.31156
• 单一同位素质量: 265.15387487
• SMILES: c1(nnc(o1)C)CN(Cc1n(ccn1)CCOC)C
• Canonical SMILES: COCCn1ccnc1CN(Cc1nnc(o1)C)C
• InChI: InChI=1S/C12H19N5O2/c1-10-14-15-12(19-10)9-16(2)8-11-13-4-5-17(11)6-7-18-3/h4-5H,6-9H2,1-3H3
• InChIKey: GKDQIUXGOQLCTR-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}(methyl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine
• IUPAC传统名: {[1-(2-methoxyethyl)imidazol-2-yl]methyl}(methyl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine
• 别名: 1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -1.6043348
• LogD (pH = 7.4): -1.0690938
• Log P: -1.0518165
• 摩尔折射率: 72.1286 cm^3
• 极化性: 26.844513 Å^3
• 极化表面积: 69.21 Å^2
• 可自由旋转的化学键: 7
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 6
• 质子供体: 0
• Log P: 0.09
• LOG S: -1.51
• 极化表面积: 69.21 Å^2
• 可自由旋转的化学键: 7