N-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-propyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 631784
• Molecular Formular: C14H14FN5O2
• Molecular Mass: 303.2916632
• Monoisotopic Mass: 303.11315293
• SMILES: c1(nc(on1)CNc1oc(nn1)CCC)c1c(F)cccc1
• Canonical SMILES: CCCc1nnc(o1)NCc1onc(n1)c1ccccc1F
• InChI: InChI=1S/C14H14FN5O2/c1-2-5-11-18-19-14(21-11)16-8-12-17-13(20-22-12)9-6-3-4-7-10(9)15/h3-4,6-7H,2,5,8H2,1H3,(H,16,19)
• InChIKey: DGUJQBKKASBHFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-propyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: N-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-propyl-1,3,4-oxadiazol-2-amine
• Synonyms: N-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-5-propyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.524142
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6278799
• LogD (pH = 7.4): 2.5979433
• Log P: 2.6282773
• Molar Refractivity: 90.5025 cm^3
• Polarizability: 28.628057 Å^3
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.49
• LOG S: -3.54
• Polar Surface Area: 89.87 Å^2
• Rotatable Bonds: 6