1-(2,6-dimethylpyridin-4-yl)-4-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine

• ChemBase ID: 420813
• Molecular Formular: C19H22N6O
• Molecular Mass: 350.41758
• Monoisotopic Mass: 350.18550935
• SMILES: n1c(noc1CN1CCN(c2cc(nc(c2)C)C)CC1)c1ncccc1
• Canonical SMILES: Cc1cc(cc(n1)C)N1CCN(CC1)Cc1onc(n1)c1ccccn1
• InChI: InChI=1S/C19H22N6O/c1-14-11-16(12-15(2)21-14)25-9-7-24(8-10-25)13-18-22-19(23-26-18)17-5-3-4-6-20-17/h3-6,11-12H,7-10,13H2,1-2H3
• InChIKey: LNGPLBBKTRFQHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,6-dimethylpyridin-4-yl)-4-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
• IUPAC Traditional name: 1-(2,6-dimethylpyridin-4-yl)-4-{[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
• Synonyms: 1-(2,6-dimethyl-4-pyridinyl)-4-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.47305602
• LogD (pH = 7.4): 0.69459766
• Log P: 2.3919833
• Molar Refractivity: 111.0007 cm^3
• Polarizability: 38.195 Å^3
• Polar Surface Area: 71.18 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: 1.62
• LOG S: -3.18
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 4