(5-methyl-1,3-oxazol-4-yl)methanamine

• ChemBase ID: 244690
• Molecular Formular: C5H8N2O
• Molecular Mass: 112.12982
• Monoisotopic Mass: 112.06366289
• SMILES: c1(ncoc1C)CN
• Canonical SMILES: Cc1ocnc1CN
• InChI: InChI=1S/C5H8N2O/c1-4-5(2-6)7-3-8-4/h3H,2,6H2,1H3
• InChIKey: HHGLDCRFUVVQBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-methyl-1,3-oxazol-4-yl)methanamine
• IUPAC Traditional name: (5-methyl-1,3-oxazol-4-yl)methanamine
• Synonyms: (5-methyl-1,3-oxazol-4-yl)methanamine

Database IDs

• MDL Number: MFCD16293643
• PubChem SID: 164300600
• PubChem CID: 57885769

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1363354
• LogD (pH = 7.4): -1.4477454
• Log P: -0.6780611
• Molar Refractivity: 29.8683 cm^3
• Polarizability: 11.452311 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.008

Product Information

• Purity: 95%