2-(1-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidin-2-yl)acetamide

• ChemBase ID: 425056
• Molecular Formular: C20H20FN5O2
• Molecular Mass: 381.4035032
• Monoisotopic Mass: 381.16010313
• SMILES: n1c(noc1c1cnc(N2C(CC(=O)N)CCCC2)cc1)c1c(F)cccc1
• Canonical SMILES: NC(=O)CC1CCCCN1c1ccc(cn1)c1onc(n1)c1ccccc1F
• InChI: InChI=1S/C20H20FN5O2/c21-16-7-2-1-6-15(16)19-24-20(28-25-19)13-8-9-18(23-12-13)26-10-4-3-5-14(26)11-17(22)27/h1-2,6-9,12,14H,3-5,10-11H2,(H2,22,27)
• InChIKey: QMAWPFKJEKRSMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidin-2-yl)acetamide
• IUPAC Traditional name: 2-(1-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}piperidin-2-yl)acetamide
• Synonyms: 2-(1-{5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-2-piperidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.89735
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.6439135
• LogD (pH = 7.4): 3.7203012
• Log P: 3.721372
• Molar Refractivity: 124.4068 cm^3
• Polarizability: 39.288193 Å^3
• Polar Surface Area: 98.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.29
• LOG S: -4.91
• Polar Surface Area: 98.14 Å^2
• Rotatable Bonds: 5