5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(1H-pyrazol-1-yl)propyl]pyridin-2-amine

• ChemBase ID: 758722
• Molecular Formular: C19H17FN6O
• Molecular Mass: 364.3762832
• Monoisotopic Mass: 364.14478741
• SMILES: n1c(noc1c1cnc(NCCCn2nccc2)cc1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1c1noc(n1)c1ccc(nc1)NCCCn1cccn1
• InChI: InChI=1S/C19H17FN6O/c20-16-6-2-1-5-15(16)18-24-19(27-25-18)14-7-8-17(22-13-14)21-9-3-11-26-12-4-10-23-26/h1-2,4-8,10,12-13H,3,9,11H2,(H,21,22)
• InChIKey: KRTHEKXEFFHUPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(1H-pyrazol-1-yl)propyl]pyridin-2-amine
• IUPAC Traditional name: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(pyrazol-1-yl)propyl]pyridin-2-amine
• Synonyms: 5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(1H-pyrazol-1-yl)propyl]-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.3829687
• LogD (pH = 7.4): 3.5052037
• Log P: 3.50702
• Molar Refractivity: 133.6114 cm^3
• Polarizability: 37.753853 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 3.49
• LOG S: -5.88
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 7