3-ethyl-4-methyl-1,2-oxazol-5-amine

• ChemBase ID: 144125
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: CCc1c(c(on1)N)C
• Canonical SMILES: CCc1noc(c1C)N
• InChI: InChI=1S/C6H10N2O/c1-3-5-4(2)6(7)9-8-5/h3,7H2,1-2H3
• InChIKey: RMAWJIRDEFGIPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-4-methyl-1,2-oxazol-5-amine
• IUPAC Traditional name: 3-ethyl-4-methyl-1,2-oxazol-5-amine
• Synonyms: 3-Ethyl-4-methylisoxazol-5-amine; 3-ethyl-4-methylisoxazol-5-amine

Database IDs

• CAS Number: 153458-34-5
• MDL Number: MFCD06255250
• PubChem SID: 162238342
• PubChem CID: 4737032

CALCULATED PROPERTIES

• Acid pKa: 17.273298
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.9425545
• LogD (pH = 7.4): 0.94347197
• Log P: 0.94348365
• Molar Refractivity: 35.7133 cm^3
• Polarizability: 12.836304 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C6H10N2O

DETAILS

Sigma Aldrich - CBR00451

Other Notes
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Legal Information
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