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

• ChemBase ID: 277457
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: n1c(cc(o1)CC)N
• Canonical SMILES: CCc1cc(no1)N
• InChI: InChI=1S/C5H8N2O/c1-2-4-3-5(6)7-8-4/h3H,2H2,1H3,(H2,6,7)
• InChIKey: INRPZCXQEPGTQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00955701
• PubChem SID: 164333367
• PubChem CID: 5094381

CALCULATED PROPERTIES

• Acid pKa: 17.790741
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.82507837
• LogD (pH = 7.4): 0.8254024
• Log P: 0.8254065
• Molar Refractivity: 32.1876 cm^3
• Polarizability: 11.078539 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.567

Product Information

• Purity: 95%