{[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl}[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]methylamine

• ChemBase编号: 691958
• 分子式: C19H23N3O3
• 平均质量: 341.40422
• 单一同位素质量: 341.17394161
• SMILES: n1c(oc(c1CN(Cc1c(c(c(cn1)C)OC)C)C)C)c1occc1
• Canonical SMILES: COc1c(C)cnc(c1C)CN(Cc1nc(oc1C)c1ccco1)C
• InChI: InChI=1S/C19H23N3O3/c1-12-9-20-15(13(2)18(12)23-5)10-22(4)11-16-14(3)25-19(21-16)17-7-6-8-24-17/h6-9H,10-11H2,1-5H3
• InChIKey: WRAOOFMEFJFOQD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: {[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl}[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]methylamine
• IUPAC传统名: {[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methyl}[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]methylamine
• 别名: 1-[2-(2-furyl)-5-methyl-1,3-oxazol-4-yl]-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N-methylmethanamine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 1.5939035
• LogD (pH = 7.4): 2.6091535
• Log P: 2.6800282
• 摩尔折射率: 105.9092 cm^3
• 极化性: 37.019337 Å^3
• 极化表面积: 64.53 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: 2.94
• LOG S: -3.19
• 极化表面积: 64.53 Å^2
• 可自由旋转的化学键: 6