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

• ChemBase ID: 619907
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: c1(oc(nn1)CC)N1CCN(c2ncccc2)CC1
• Canonical SMILES: CCc1nnc(o1)N1CCN(CC1)c1ccccn1
• InChI: InChI=1S/C13H17N5O/c1-2-12-15-16-13(19-12)18-9-7-17(8-10-18)11-5-3-4-6-14-11/h3-6H,2,7-10H2,1H3
• InChIKey: XKFIPFPOSSQKQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.81857246
• LogD (pH = 7.4): 1.6436695
• Log P: 1.6856049
• Molar Refractivity: 74.6583 cm^3
• Polarizability: 26.67991 Å^3
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.13
• LOG S: -2.75
• Polar Surface Area: 58.29 Å^2
• Rotatable Bonds: 3