(5-methyl-1,3-oxazol-2-yl)methanamine

• ChemBase ID: 285350
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: n1c(oc(c1)C)CN
• Canonical SMILES: Cc1cnc(o1)CN
• InChI: InChI=1S/C5H8N2O/c1-4-3-7-5(2-6)8-4/h3H,2,6H2,1H3
• InChIKey: FKQACWXKOPSSDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-1,3-oxazol-2-yl)methanamine
• IUPAC Traditional name: (5-methyl-1,3-oxazol-2-yl)methanamine
• Synonyms: (5-methyl-1,3-oxazol-2-yl)methanamine

Database IDs

• MDL Number: MFCD09884236
• PubChem SID: 180670881
• PubChem CID: 24254960

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.521596
• LogD (pH = 7.4): -0.96619874
• Log P: -0.6863666
• Molar Refractivity: 29.7175 cm^3
• Polarizability: 11.452799 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.958

Product Information

• Purity: 95%