1-(2-methoxyphenyl)-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine

• ChemBase ID: 360896
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: n1c(onc1CCC)CN1CCN(c2c(OC)cccc2)CC1
• Canonical SMILES: CCCc1noc(n1)CN1CCN(CC1)c1ccccc1OC
• InChI: InChI=1S/C17H24N4O2/c1-3-6-16-18-17(23-19-16)13-20-9-11-21(12-10-20)14-7-4-5-8-15(14)22-2/h4-5,7-8H,3,6,9-13H2,1-2H3
• InChIKey: XCDJSCXQFMJECF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
• IUPAC Traditional name: 1-(2-methoxyphenyl)-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine
• Synonyms: 1-(2-methoxyphenyl)-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6194193
• LogD (pH = 7.4): 3.0897746
• Log P: 3.1007342
• Molar Refractivity: 91.4079 cm^3
• Polarizability: 34.143894 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.02
• LOG S: -2.22
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 3