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

• ChemBase编号: 672788
• 分子式: C15H23N5O2
• 平均质量: 305.37542
• 单一同位素质量: 305.185175
• SMILES: c1(n(ccn1)CCOC)C1CCN(Cc2nnc(o2)C)CC1
• Canonical SMILES: COCCn1ccnc1C1CCN(CC1)Cc1nnc(o1)C
• InChI: InChI=1S/C15H23N5O2/c1-12-17-18-14(22-12)11-19-6-3-13(4-7-19)15-16-5-8-20(15)9-10-21-2/h5,8,13H,3-4,6-7,9-11H2,1-2H3
• InChIKey: FGXQXZUAEOQUON-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

JChem

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): -2.8785992
• LogD (pH = 7.4): -0.74062455
• Log P: -0.45668906
• 摩尔折射率: 84.4259 cm^3
• 极化性: 31.55097 Å^3
• 极化表面积: 69.21 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: 0.17
• LOG S: -1.87
• 极化表面积: 69.21 Å^2
• 可自由旋转的化学键: 6