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

• ChemBase ID: 90291
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: o1c(nc(c1)CNC)C
• Canonical SMILES: CNCc1coc(n1)C
• InChI: InChI=1S/C6H10N2O/c1-5-8-6(3-7-2)4-9-5/h4,7H,3H2,1-2H3
• InChIKey: SFLPQWGHHRKLNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-methyl-1,3-oxazol-4-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-methyl-1,3-oxazol-4-yl)methyl]amine
• Synonyms: N-methyl-(2-methyl-1,3-oxazol-4-yl)methylamine; N-Methyl-1-(2-methyl-1,3-oxazol-4-yl)methylamine; 2-Methyl-4-[(methylamino)methyl]-1,3-oxazole

Database IDs

• CAS Number: 1065073-46-2
• MDL Number: MFCD11101414
• PubChem SID: 162077115
• PubChem CID: 44119607

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.645834
• LogD (pH = 7.4): -0.9237038
• Log P: -0.32197735
• Molar Refractivity: 33.9339 cm^3
• Polarizability: 13.285104 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 97%