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

• ChemBase ID: 243265
• Molecular Formular: C6H11ClN2O
• Molecular Mass: 162.61734
• Monoisotopic Mass: 162.05599066
• SMILES: c1(c(onc1CC)C)N.Cl
• Canonical SMILES: CCc1noc(c1N)C.Cl
• InChI: InChI=1S/C6H10N2O.ClH/c1-3-5-6(7)4(2)9-8-5;/h3,7H2,1-2H3;1H
• InChIKey: HRZJYDJOTAWKMM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22578632
• PubChem SID: 164299175
• PubChem CID: 71757209

CALCULATED PROPERTIES

• Acid pKa: 19.878948
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.54030704
• LogD (pH = 7.4): 0.54033226
• Log P: 0.5403326
• Molar Refractivity: 36.5685 cm^3
• Polarizability: 12.836208 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 - 188°C
• Hydrophobicity(logP): 0.736

Product Information

• Purity: 95%