5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(pyrrolidin-1-yl)pyridine

• ChemBase ID: 415660
• Molecular Formular: C17H15FN4O
• Molecular Mass: 310.3256032
• Monoisotopic Mass: 310.12298934
• SMILES: n1c(noc1c1cnc(N2CCCC2)cc1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1c1noc(n1)c1ccc(nc1)N1CCCC1
• InChI: InChI=1S/C17H15FN4O/c18-14-6-2-1-5-13(14)16-20-17(23-21-16)12-7-8-15(19-11-12)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2
• InChIKey: SZQGZKLDHMXXOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(pyrrolidin-1-yl)pyridine
• IUPAC Traditional name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-(pyrrolidin-1-yl)pyridine
• Synonyms: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyrrolidin-1-ylpyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2333174
• LogD (pH = 7.4): 4.3162036
• Log P: 4.317375
• Molar Refractivity: 107.5294 cm^3
• Polarizability: 32.535038 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.78
• LOG S: -4.69
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 3