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

• ChemBase ID: 701975
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n1c(noc1CN1CCN(Cc2c(OC)cccc2)CC1)c1ccccc1
• Canonical SMILES: COc1ccccc1CN1CCN(CC1)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C21H24N4O2/c1-26-19-10-6-5-9-18(19)15-24-11-13-25(14-12-24)16-20-22-21(23-27-20)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3
• InChIKey: NOWKUGWNMGBEAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9748915
• LogD (pH = 7.4): 3.4200883
• Log P: 3.6044414
• Molar Refractivity: 117.0808 cm^3
• Polarizability: 41.20223 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: 6
• H Donor: 0
• Log P: 3.54
• LOG S: -1.5
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 5