1-(2-chlorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazine

• ChemBase ID: 695175
• Molecular Formular: C15H19ClN4O
• Molecular Mass: 306.79056
• Monoisotopic Mass: 306.12473893
• SMILES: c1(oc(nn1)CCC)N1CCN(c2c(Cl)cccc2)CC1
• Canonical SMILES: CCCc1nnc(o1)N1CCN(CC1)c1ccccc1Cl
• InChI: InChI=1S/C15H19ClN4O/c1-2-5-14-17-18-15(21-14)20-10-8-19(9-11-20)13-7-4-3-6-12(13)16/h3-4,6-7H,2,5,8-11H2,1H3
• InChIKey: FSWYIGZWJUOOLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chlorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazine
• IUPAC Traditional name: 1-(2-chlorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazine
• Synonyms: 1-(2-chlorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3574314
• LogD (pH = 7.4): 3.357433
• Log P: 3.357433
• Molar Refractivity: 85.9075 cm^3
• Polarizability: 31.292467 Å^3
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.54
• LOG S: -3.61
• Polar Surface Area: 45.4 Å^2
• Rotatable Bonds: 4