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

• ChemBase ID: 306396
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: n1c(cco1)C(NC)C
• Canonical SMILES: CC(c1ccon1)NC
• InChI: InChI=1S/C6H10N2O/c1-5(7-2)6-3-4-9-8-6/h3-5,7H,1-2H3
• InChIKey: NIFPOQQLWYUCCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08059665

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8360593
• LogD (pH = 7.4): -0.10685269
• Log P: 0.54637617
• Molar Refractivity: 34.7197 cm^3
• Polarizability: 13.363519 Å^3
• Polar Surface Area: 38.06 Å^2