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

• ChemBase ID: 235461
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: c1(ncc(o1)CC)N
• Canonical SMILES: CCc1cnc(o1)N
• InChI: InChI=1S/C5H8N2O/c1-2-4-3-7-5(6)8-4/h3H,2H2,1H3,(H2,6,7)
• InChIKey: ABJMGNIYIIFOSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 33124-05-9
• MDL Number: MFCD11847543
• PubChem SID: 164291371
• PubChem CID: 22661080

CALCULATED PROPERTIES

• Acid pKa: 14.890017
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.48972777
• LogD (pH = 7.4): 0.49250937
• Log P: 0.49254498
• Molar Refractivity: 30.6148 cm^3
• Polarizability: 11.084626 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.503

Product Information

• Purity: 95%; 98%