3-cyclohexyl-1,2-oxazol-5-amine

• ChemBase ID: 263258
• Molecular Formular: C9H14N2O
• Molecular Mass: 166.22026
• Monoisotopic Mass: 166.11061308
• SMILES: c1c(noc1N)C1CCCCC1
• Canonical SMILES: Nc1onc(c1)C1CCCCC1
• InChI: InChI=1S/C9H14N2O/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h6-7H,1-5,10H2
• InChIKey: VQZCMFOELVYEHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclohexyl-1,2-oxazol-5-amine
• IUPAC Traditional name: 3-cyclohexyl-1,2-oxazol-5-amine
• Synonyms: 3-cyclohexyl-1,2-oxazol-5-amine

Database IDs

• MDL Number: MFCD10693350
• PubChem SID: 164319168
• PubChem CID: 13377311

CALCULATED PROPERTIES

• Acid pKa: 15.989474
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8424966
• LogD (pH = 7.4): 1.843022
• Log P: 1.8430287
• Molar Refractivity: 47.2474 cm^3
• Polarizability: 17.693876 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 127 - 129°C
• Hydrophobicity(logP): 2.159

Product Information

• Purity: 95%