methyl[(4-methyl-1,3-oxazol-2-yl)methyl]amine

• ChemBase ID: 814397
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: C(NC)c1occ(n1)C
• Canonical SMILES: CNCc1occ(n1)C
• InChI: InChI=1S/C6H10N2O/c1-5-4-9-6(8-5)3-7-2/h4,7H,3H2,1-2H3
• InChIKey: RMQNATXUUVBYOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(4-methyl-1,3-oxazol-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(4-methyl-1,3-oxazol-2-yl)methyl]amine
• Synonyms: N-methyl-1-(4-methyloxazol-2-yl)methanamine

Database IDs

• CAS Number: 1196151-82-2

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1219084
• LogD (pH = 7.4): -0.5796736
• Log P: -0.32197735
• Molar Refractivity: 33.9339 cm^3
• Polarizability: 13.285444 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%