2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide

• ChemBase ID: 260548
• Molecular Formular: C11H16ClN3O2
• Molecular Mass: 257.71664
• Monoisotopic Mass: 257.09310445
• SMILES: c1(nc(on1)C)C1(NC(=O)CCl)CCCCC1
• Canonical SMILES: ClCC(=O)NC1(CCCCC1)c1noc(n1)C
• InChI: InChI=1S/C11H16ClN3O2/c1-8-13-10(15-17-8)11(14-9(16)7-12)5-3-2-4-6-11/h2-7H2,1H3,(H,14,16)
• InChIKey: HGVKENVGEJUPIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
• IUPAC Traditional name: 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
• Synonyms: 2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide

Database IDs

• MDL Number: MFCD18838628
• PubChem SID: 164316458
• PubChem CID: 54592459

CALCULATED PROPERTIES

• Acid pKa: 9.62809
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7883049
• LogD (pH = 7.4): 1.7859946
• Log P: 1.7883345
• Molar Refractivity: 64.3499 cm^3
• Polarizability: 24.358145 Å^3
• Polar Surface Area: 68.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): 1.205

Product Information

• Purity: 95%