5-ethyl-N-[2-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 345759
• Molecular Formular: C12H14FN3O2
• Molecular Mass: 251.2568632
• Monoisotopic Mass: 251.10700492
• SMILES: o1c(nnc1CC)NCCOc1c(F)cccc1
• Canonical SMILES: CCc1nnc(o1)NCCOc1ccccc1F
• InChI: InChI=1S/C12H14FN3O2/c1-2-11-15-16-12(18-11)14-7-8-17-10-6-4-3-5-9(10)13/h3-6H,2,7-8H2,1H3,(H,14,16)
• InChIKey: OMUVODYTODJCJI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-[2-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-ethyl-N-[2-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine
• Synonyms: 5-ethyl-N-[2-(2-fluorophenoxy)ethyl]-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.940709
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.7220634
• LogD (pH = 7.4): 1.721947
• Log P: 1.7220658
• Molar Refractivity: 66.4869 cm^3
• Polarizability: 23.892536 Å^3
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.04
• LOG S: -2.87
• Polar Surface Area: 60.18 Å^2
• Rotatable Bonds: 6