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

• ChemBase ID: 285352
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: c1(c(onc1)N)C
• Canonical SMILES: Cc1cnoc1N
• InChI: InChI=1S/C4H6N2O/c1-3-2-6-7-4(3)5/h2H,5H2,1H3
• InChIKey: GYNLTWUPSJGXFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 35143-75-0
• MDL Number: MFCD11878418
• PubChem SID: 180670883
• PubChem CID: 12559270

CALCULATED PROPERTIES

• Acid pKa: 17.111164
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.11148762
• LogD (pH = 7.4): 0.11157653
• Log P: 0.11157766
• Molar Refractivity: 26.4949 cm^3
• Polarizability: 9.260999 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 59 - 61°C
• Hydrophobicity(logP): -0.012

Product Information

• Purity: 95%; 98%