5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine hydrochloride

• ChemBase ID: 250259
• Molecular Formular: C11H16ClN3OS
• Molecular Mass: 273.78224
• Monoisotopic Mass: 273.07026083
• SMILES: c1(nc(on1)CCCCCN)c1sccc1.Cl
• Canonical SMILES: NCCCCCc1onc(n1)c1cccs1.Cl
• InChI: InChI=1S/C11H15N3OS.ClH/c12-7-3-1-2-6-10-13-11(14-15-10)9-5-4-8-16-9;/h4-5,8H,1-3,6-7,12H2;1H
• InChIKey: GZSADYQWMSFTMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine hydrochloride
• IUPAC Traditional name: 5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine hydrochloride
• Synonyms: 5-(3-thien-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD07343887
• PubChem SID: 164306169
• PubChem CID: 16257297

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.8063725
• LogD (pH = 7.4): -0.27001944
• Log P: 2.3926752
• Molar Refractivity: 75.4319 cm^3
• Polarizability: 25.05299 Å^3
• Polar Surface Area: 64.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.217

Product Information

• Purity: 95%
• Salt Data: HCl