2-[3-(2-fluorophenoxy)azetidin-1-yl]-5-propyl-1,3,4-oxadiazole

• ChemBase ID: 674432
• Molecular Formular: C14H16FN3O2
• Molecular Mass: 277.2941432
• Monoisotopic Mass: 277.12265499
• SMILES: c1(oc(nn1)CCC)N1CC(C1)Oc1c(F)cccc1
• Canonical SMILES: CCCc1nnc(o1)N1CC(C1)Oc1ccccc1F
• InChI: InChI=1S/C14H16FN3O2/c1-2-5-13-16-17-14(20-13)18-8-10(9-18)19-12-7-4-3-6-11(12)15/h3-4,6-7,10H,2,5,8-9H2,1H3
• InChIKey: DDLYXEIFLUIEIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(2-fluorophenoxy)azetidin-1-yl]-5-propyl-1,3,4-oxadiazole
• IUPAC Traditional name: 2-[3-(2-fluorophenoxy)azetidin-1-yl]-5-propyl-1,3,4-oxadiazole
• Synonyms: 2-[3-(2-fluorophenoxy)azetidin-1-yl]-5-propyl-1,3,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.690142
• LogD (pH = 7.4): 2.6901424
• Log P: 2.6901424
• Molar Refractivity: 73.0239 cm^3
• Polarizability: 26.83228 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.67
• LOG S: -2.65
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5