N-(1-{5-[(ethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentyl)acetamide hydrochloride

• ChemBase ID: 255632
• Molecular Formular: C12H21ClN4O2
• Molecular Mass: 288.77374
• Monoisotopic Mass: 288.13530361
• SMILES: c1(nc(on1)CNCC)C1(NC(=O)C)CCCC1.Cl
• Canonical SMILES: CCNCc1onc(n1)C1(CCCC1)NC(=O)C.Cl
• InChI: InChI=1S/C12H20N4O2.ClH/c1-3-13-8-10-14-11(16-18-10)12(15-9(2)17)6-4-5-7-12;/h13H,3-8H2,1-2H3,(H,15,17);1H
• InChIKey: JQSLMECJJLXBNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{5-[(ethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentyl)acetamide hydrochloride
• IUPAC Traditional name: N-(1-{5-[(ethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentyl)acetamide hydrochloride
• Synonyms: N-(1-{5-[(ethylamino)methyl]-1,2,4-oxadiazol-3-yl}cyclopentyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD09971620
• PubChem SID: 164311542
• PubChem CID: 42953454

CALCULATED PROPERTIES

• Acid pKa: 12.196003
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9924788
• LogD (pH = 7.4): 0.44249097
• Log P: 0.6231065
• Molar Refractivity: 67.8786 cm^3
• Polarizability: 25.896832 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.339

Product Information

• Purity: 95%