2,5-dimethyl-3-{4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl}pyrazine

• ChemBase ID: 370789
• Molecular Formular: C19H22N6O
• Molecular Mass: 350.41758
• Monoisotopic Mass: 350.18550935
• SMILES: n1c(noc1CN1CCN(c2nc(cnc2C)C)CC1)c1ccccc1
• Canonical SMILES: Cc1cnc(c(n1)N1CCN(CC1)Cc1onc(n1)c1ccccc1)C
• InChI: InChI=1S/C19H22N6O/c1-14-12-20-15(2)19(21-14)25-10-8-24(9-11-25)13-17-22-18(23-26-17)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3
• InChIKey: UBNPJZNEUXAAFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dimethyl-3-{4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl}pyrazine
• IUPAC Traditional name: 2,5-dimethyl-3-{4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl}pyrazine
• Synonyms: 2,5-dimethyl-3-{4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl}pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.9904749
• LogD (pH = 7.4): 2.6131773
• Log P: 2.6312454
• Molar Refractivity: 111.6862 cm^3
• Polarizability: 38.189503 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: 2.05
• LOG S: -3.18
• Polar Surface Area: 71.18 Å^2
• Rotatable Bonds: 4