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

• ChemBase ID: 88003
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: n1c(C)oc(c1CNC)C
• Canonical SMILES: CNCc1nc(oc1C)C
• InChI: InChI=1S/C7H12N2O/c1-5-7(4-8-3)9-6(2)10-5/h8H,4H2,1-3H3
• InChIKey: KRRLPXDQADCHQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethyl-1,3-oxazol-4-yl)methyl](methyl)amine
• IUPAC Traditional name: [(dimethyl-1,3-oxazol-4-yl)methyl](methyl)amine
• Synonyms: (2,5-Dimethyl-1,3-oxazol-4-yl)-N-methylamine; 2,5-Dimethyl-4-[(methylamino)methyl]-1,3-oxazole 97%

Database IDs

• CAS Number: 859850-63-8
• MDL Number: MFCD08271884
• PubChem SID: 162075043
• PubChem CID: 7537482

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.5292957
• LogD (pH = 7.4): -0.7979986
• Log P: -0.12241603
• Molar Refractivity: 39.0836 cm^3
• Polarizability: 15.04712 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive