1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-yl)piperazine

• ChemBase ID: 821402
• Molecular Formular: C12H15N5O
• Molecular Mass: 245.2804
• Monoisotopic Mass: 245.12766013
• SMILES: c1(oc(nn1)C)N1CCN(c2ccncc2)CC1
• Canonical SMILES: Cc1nnc(o1)N1CCN(CC1)c1ccncc1
• InChI: InChI=1S/C12H15N5O/c1-10-14-15-12(18-10)17-8-6-16(7-9-17)11-2-4-13-5-3-11/h2-5H,6-9H2,1H3
• InChIKey: YNNBPIKZMPHFES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-yl)piperazine
• IUPAC Traditional name: 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(pyridin-4-yl)piperazine
• Synonyms: 1-(5-methyl-1,3,4-oxadiazol-2-yl)-4-pyridin-4-ylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.59231967
• LogD (pH = 7.4): -0.44400835
• Log P: 0.3906115
• Molar Refractivity: 69.7179 cm^3
• Polarizability: 24.843065 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.47
• LOG S: -1.68
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 2