methyl[(2-methyl-1,3-oxazol-5-yl)methyl]amine

• ChemBase ID: 90295
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: o1c(ncc1CNC)C
• Canonical SMILES: CNCc1cnc(o1)C
• InChI: InChI=1S/C6H10N2O/c1-5-8-4-6(9-5)3-7-2/h4,7H,3H2,1-2H3
• InChIKey: GWMYKNYCYVXKIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(2-methyl-1,3-oxazol-5-yl)methyl]amine
• IUPAC Traditional name: methyl[(2-methyl-1,3-oxazol-5-yl)methyl]amine
• Synonyms: N-Methyl-1-(2-methyl-1,3-oxazol-5-yl)methylamine; 2-Methyl-5-[(methylamino)methyl]-1,3-oxazole

Database IDs

• PubChem SID: 162104801
• PubChem CID: 44119654

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9700875
• LogD (pH = 7.4): -1.2356932
• Log P: -0.48344812
• Molar Refractivity: 34.3336 cm^3
• Polarizability: 13.285154 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant