4-{5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,2-dimethylpiperazine

• ChemBase ID: 411397
• Molecular Formular: C20H23N5O2
• Molecular Mass: 365.42892
• Monoisotopic Mass: 365.185175
• SMILES: n1c(onc1c1ccc(cc1)OC)c1cnc(N2CC(N(CC2)C)C)cc1
• Canonical SMILES: COc1ccc(cc1)c1noc(n1)c1ccc(nc1)N1CCN(C(C1)C)C
• InChI: InChI=1S/C20H23N5O2/c1-14-13-25(11-10-24(14)2)18-9-6-16(12-21-18)20-22-19(23-27-20)15-4-7-17(26-3)8-5-15/h4-9,12,14H,10-11,13H2,1-3H3
• InChIKey: KUGUUUCTULWXIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,2-dimethylpiperazine
• IUPAC Traditional name: 4-{5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-yl}-1,2-dimethylpiperazine
• Synonyms: 4-{5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl}-1,2-dimethylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.6911936
• LogD (pH = 7.4): 3.3921256
• Log P: 3.837083
• Molar Refractivity: 126.7041 cm^3
• Polarizability: 40.59813 Å^3
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.66
• LOG S: -3.48
• Polar Surface Area: 67.52 Å^2
• Rotatable Bonds: 3