5-[1-(4-fluorophenyl)cyclopropyl]-3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazole

• ChemBase编号: 413530
• 分子式: C18H13FN4O
• 平均质量: 320.3204232
• 单一同位素质量: 320.10733928
• SMILES: c1(c2nc(C3(CC3)c3ccc(cc3)F)on2)nc2n(c1)cccc2
• Canonical SMILES: Fc1ccc(cc1)C1(CC1)c1onc(n1)c1nc2n(c1)cccc2
• InChI: InChI=1S/C18H13FN4O/c19-13-6-4-12(5-7-13)18(8-9-18)17-21-16(22-24-17)14-11-23-10-2-1-3-15(23)20-14/h1-7,10-11H,8-9H2
• InChIKey: FADBFGAXMISCQC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-[1-(4-fluorophenyl)cyclopropyl]-3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazole
• IUPAC传统名: 5-[1-(4-fluorophenyl)cyclopropyl]-3-{imidazo[1,2-a]pyridin-2-yl}-1,2,4-oxadiazole
• 别名: 2-{5-[1-(4-fluorophenyl)cyclopropyl]-1,2,4-oxadiazol-3-yl}imidazo[1,2-a]pyridine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.2723637
• LogD (pH = 7.4): 4.3209534
• Log P: 4.321611
• 摩尔折射率: 108.7383 cm^3
• 极化性: 32.662376 Å^3
• 极化表面积: 56.22 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 3.86
• LOG S: -4.83
• 极化表面积: 56.22 Å^2
• 可自由旋转的化学键: 3