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

• ChemBase ID: 522895
• Molecular Formular: C19H17FN6O
• Molecular Mass: 364.3762832
• Monoisotopic Mass: 364.14478741
• SMILES: n1c(noc1c1cnc(NCCCn2cncc2)cc1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1c1noc(n1)c1ccc(nc1)NCCCn1ccnc1
• InChI: InChI=1S/C19H17FN6O/c20-16-5-2-1-4-15(16)18-24-19(27-25-18)14-6-7-17(23-12-14)22-8-3-10-26-11-9-21-13-26/h1-2,4-7,9,11-13H,3,8,10H2,(H,22,23)
• InChIKey: QSYSCUIPMLMDNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.439596
• LogD (pH = 7.4): 3.13622
• Log P: 3.2140906
• Molar Refractivity: 122.5595 cm^3
• Polarizability: 37.759644 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: 3.13
• LOG S: -5.63
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 7