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

• ChemBase ID: 255634
• Molecular Formular: C10H14ClN3O2
• Molecular Mass: 243.69006
• Monoisotopic Mass: 243.07745438
• SMILES: c1(nc(on1)CCl)C1(NC(=O)C)CCCC1
• Canonical SMILES: ClCc1onc(n1)C1(CCCC1)NC(=O)C
• InChI: InChI=1S/C10H14ClN3O2/c1-7(15)13-10(4-2-3-5-10)9-12-8(6-11)16-14-9/h2-6H2,1H3,(H,13,15)
• InChIKey: JCOFSTCWEZNADF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09971622
• PubChem SID: 164311544
• PubChem CID: 28819323

CALCULATED PROPERTIES

• Acid pKa: 11.277554
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3680941
• LogD (pH = 7.4): 1.3680426
• Log P: 1.3680953
• Molar Refractivity: 59.7489 cm^3
• Polarizability: 22.609617 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74 - 76°C
• Hydrophobicity(logP): 0.326

Product Information

• Purity: 95%