2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole

• ChemBase编号: 381834
• 分子式: C19H23N3O3
• 平均质量: 341.40422
• 单一同位素质量: 341.17394161
• SMILES: c1(nc(c(o1)C)Cn1c(ncc1)CCC)c1c(ccc(c1)OC)OC
• Canonical SMILES: CCCc1nccn1Cc1nc(oc1C)c1cc(OC)ccc1OC
• InChI: InChI=1S/C19H23N3O3/c1-5-6-18-20-9-10-22(18)12-16-13(2)25-19(21-16)15-11-14(23-3)7-8-17(15)24-4/h7-11H,5-6,12H2,1-4H3
• InChIKey: UDJJSLLDAOPOSH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole
• IUPAC传统名: 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-propylimidazol-1-yl)methyl]-1,3-oxazole
• 别名: 2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-propyl-1H-imidazol-1-yl)methyl]-1,3-oxazole

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 2.0218463
• LogD (pH = 7.4): 2.8296204
• Log P: 3.0034466
• 摩尔折射率: 105.5556 cm^3
• 极化性: 37.004734 Å^3
• 极化表面积: 62.31 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: 5
• 质子供体: 0
• Log P: 3.26
• LOG S: -4.47
• 极化表面积: 62.31 Å^2
• 可自由旋转的化学键: 7