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

• ChemBase ID: 308704
• Molecular Formular: C8H12N2O
• Molecular Mass: 152.19368
• Monoisotopic Mass: 152.09496301
• SMILES: c1(cc(no1)CNC)C1CC1
• Canonical SMILES: CNCc1noc(c1)C1CC1
• InChI: InChI=1S/C8H12N2O/c1-9-5-7-4-8(11-10-7)6-2-3-6/h4,6,9H,2-3,5H2,1H3
• InChIKey: MVFZPZKRCBMBJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(5-cyclopropyl-1,2-oxazol-3-yl)methyl](methyl)amine
• IUPAC Traditional name: [(5-cyclopropyl-1,2-oxazol-3-yl)methyl](methyl)amine
• Synonyms: 1-(5-cyclopropyl-3-isoxazolyl)-N-methylmethanamine

Database IDs

• CAS Number: 1160246-02-5
• MDL Number: MFCD11215376

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7297025
• LogD (pH = 7.4): -0.006606012
• Log P: 0.60094255
• Molar Refractivity: 42.5689 cm^3
• Polarizability: 16.23868 Å^3
• Polar Surface Area: 38.06 Å^2