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

• ChemBase ID: 267139
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: c1c(onc1CC)N
• Canonical SMILES: CCc1cc(on1)N
• InChI: InChI=1S/C5H8N2O/c1-2-4-3-5(6)8-7-4/h3H,2,6H2,1H3
• InChIKey: VSXMSYVKRKWKDG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD10695638
• PubChem SID: 164323049
• PubChem CID: 10866295

CALCULATED PROPERTIES

• Acid pKa: 16.02313
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.42924708
• LogD (pH = 7.4): 0.430052
• Log P: 0.4300623
• Molar Refractivity: 30.6721 cm^3
• Polarizability: 11.081951 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 49 - 51°C
• Hydrophobicity(logP): 0.567

Product Information

• Purity: 95%