4-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,2-dimethylpiperazine

• ChemBase ID: 467097
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: n1c(onc1Cc1ccccc1)c1cnc(N2CC(N(CC2)C)C)cc1
• Canonical SMILES: CN1CCN(CC1C)c1ccc(cn1)c1onc(n1)Cc1ccccc1
• InChI: InChI=1S/C20H23N5O/c1-15-14-25(11-10-24(15)2)19-9-8-17(13-21-19)20-22-18(23-26-20)12-16-6-4-3-5-7-16/h3-9,13,15H,10-12,14H2,1-2H3
• InChIKey: RJSOULYMZJIAEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8493856
• LogD (pH = 7.4): 3.5505586
• Log P: 3.995945
• Molar Refractivity: 114.1761 cm^3
• Polarizability: 39.15992 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.36
• LOG S: -3.9
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 4