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

• ChemBase ID: 271356
• Molecular Formular: C10H18N4O
• Molecular Mass: 210.27612
• Monoisotopic Mass: 210.14806122
• SMILES: c1(nc(no1)CC)C(N1CCNCC1)C
• Canonical SMILES: CCc1noc(n1)C(N1CCNCC1)C
• InChI: InChI=1S/C10H18N4O/c1-3-9-12-10(15-13-9)8(2)14-6-4-11-5-7-14/h8,11H,3-7H2,1-2H3
• InChIKey: YKOUFZWBCNJRRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD16705426
• PubChem SID: 164327266
• PubChem CID: 54592609

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.211373
• LogD (pH = 7.4): -0.8105818
• Log P: 0.9968549
• Molar Refractivity: 59.0444 cm^3
• Polarizability: 22.423273 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.334

Product Information

• Purity: 95%