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

• ChemBase ID: 283112
• Molecular Formular: C4H6N2O
• Molecular Mass: 98.10324
• Monoisotopic Mass: 98.04801282
• SMILES: c1(ncc(o1)C)N
• Canonical SMILES: Cc1cnc(o1)N
• InChI: InChI=1S/C4H6N2O/c1-3-2-6-4(5)7-3/h2H,1H3,(H2,5,6)
• InChIKey: DYYFCNDEROYKKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-1,3-oxazol-2-amine
• IUPAC Traditional name: 5-methyl-1,3-oxazol-2-amine
• Synonyms: 5-methyl-1,3-oxazol-2-amine; 5-METHYL-OXAZOL-2-YLAMINE

Database IDs

• CAS Number: 33124-04-8
• MDL Number: MFCD09832092
• PubChem SID: 180668643
• PubChem CID: 12495133

CALCULATED PROPERTIES

• Acid pKa: 14.946999
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.033314046
• LogD (pH = 7.4): -0.030019632
• Log P: -0.029977426
• Molar Refractivity: 26.0908 cm^3
• Polarizability: 9.261792 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.026

Product Information

• Purity: 95%; 98%