2-(cyclohexylamino)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

• ChemBase ID: 14038
• Molecular Formular: C11H18N4O2
• Molecular Mass: 238.28622
• Monoisotopic Mass: 238.14297584
• SMILES: c1(c(non1)C)NC(=O)CNC1CCCCC1
• Canonical SMILES: O=C(Nc1nonc1C)CNC1CCCCC1
• InChI: InChI=1S/C11H18N4O2/c1-8-11(15-17-14-8)13-10(16)7-12-9-5-3-2-4-6-9/h9,12H,2-7H2,1H3,(H,13,15,16)
• InChIKey: CDAPKZYLEQQIKU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(cyclohexylamino)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• IUPAC Traditional name: 2-(cyclohexylamino)-N-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
• Synonyms: 2-Cyclohexylamino-N-(4-methyl-furazan-3-yl)-acetamide

Database IDs

• MDL Number: MFCD00761062
• PubChem SID: 160977345
• PubChem CID: 574368

CALCULATED PROPERTIES

• Acid pKa: 10.547277
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.0736873
• LogD (pH = 7.4): -0.46122497
• Log P: 0.70014346
• Molar Refractivity: 65.3451 cm^3
• Polarizability: 23.991816 Å^3
• Polar Surface Area: 80.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false