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

• ChemBase ID: 122144
• Molecular Formular: C8H14N2O
• Molecular Mass: 154.20956
• Monoisotopic Mass: 154.11061308
• SMILES: n1oc(c(c1C)CCNC)C
• Canonical SMILES: CNCCc1c(C)noc1C
• InChI: InChI=1S/C8H14N2O/c1-6-8(4-5-9-3)7(2)11-10-6/h9H,4-5H2,1-3H3
• InChIKey: WYNOJPSYWAUXIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amine
• IUPAC Traditional name: [2-(dimethyl-1,2-oxazol-4-yl)ethyl](methyl)amine
• Synonyms: 2-(3,5-dimethylisoxazol-4-yl)-N-methylethanamine

Database IDs

• PubChem SID: 162216497
• PubChem CID: 16394815

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6617174
• LogD (pH = 7.4): -1.5912097
• Log P: 0.51573277
• Molar Refractivity: 45.2442 cm^3
• Polarizability: 16.80933 Å^3
• Polar Surface Area: 38.06 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true