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

• ChemBase ID: 852308
• Molecular Formular: C17H24N4O2
• Molecular Mass: 316.39806
• Monoisotopic Mass: 316.18992603
• SMILES: c1(oc(nn1)CCC)N1CCN(Cc2c(OC)cccc2)CC1
• Canonical SMILES: CCCc1nnc(o1)N1CCN(CC1)Cc1ccccc1OC
• InChI: InChI=1S/C17H24N4O2/c1-3-6-16-18-19-17(23-16)21-11-9-20(10-12-21)13-14-7-4-5-8-15(14)22-2/h4-5,7-8H,3,6,9-13H2,1-2H3
• InChIKey: UEPDALQTOJMYRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1852195
• LogD (pH = 7.4): 2.3465676
• Log P: 2.42907
• Molar Refractivity: 91.68 cm^3
• Polarizability: 34.139862 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: 1.73
• LOG S: -1.98
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 6