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

• ChemBase ID: 255327
• Molecular Formular: C15H21ClN4O
• Molecular Mass: 308.80644
• Monoisotopic Mass: 308.14038899
• SMILES: c1(nc(no1)Cc1ccccc1)C(N1CCNCC1)C.Cl
• Canonical SMILES: CC(c1onc(n1)Cc1ccccc1)N1CCNCC1.Cl
• InChI: InChI=1S/C15H20N4O.ClH/c1-12(19-9-7-16-8-10-19)15-17-14(18-20-15)11-13-5-3-2-4-6-13;/h2-6,12,16H,7-11H2,1H3;1H
• InChIKey: USBSKZVBEUQNGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10686677
• PubChem SID: 164311237
• PubChem CID: 43423618

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0542756
• LogD (pH = 7.4): 0.34653482
• Log P: 2.1540024
• Molar Refractivity: 79.1394 cm^3
• Polarizability: 30.15956 Å^3
• Polar Surface Area: 54.19 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 184 - 186°C
• Hydrophobicity(logP): 1.373

Product Information

• Purity: 95%