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

• ChemBase ID: 241011
• Molecular Formular: C4H7ClN2O
• Molecular Mass: 134.56418
• Monoisotopic Mass: 134.02469053
• SMILES: c1(c(onc1)C)N.Cl
• Canonical SMILES: Nc1cnoc1C.Cl
• InChI: InChI=1S/C4H6N2O.ClH/c1-3-4(5)2-6-7-3;/h2H,5H2,1H3;1H
• InChIKey: DGZOHHHHZCANPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22421799
• PubChem SID: 164296921
• PubChem CID: 13033203

CALCULATED PROPERTIES

• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2915753
• LogD (pH = 7.4): -0.29157344
• Log P: -0.2915734
• Molar Refractivity: 27.3501 cm^3
• Polarizability: 9.260767 Å^3
• Polar Surface Area: 52.05 Å^2

PROPERTIES

Physical Property

• Melting Point: 179 - 181°C
• Hydrophobicity(logP): -0.012

Product Information

• Purity: 95%