(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine

• ChemBase ID: 307028
• Molecular Formular: C5H10N2O
• Molecular Mass: 114.1457
• Monoisotopic Mass: 114.07931295
• SMILES: N1=C(CC(O1)CN)C
• Canonical SMILES: CC1=NOC(C1)CN
• InChI: InChI=1S/C5H10N2O/c1-4-2-5(3-6)8-7-4/h5H,2-3,6H2,1H3
• InChIKey: WGEHEKHOMIDZQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
• IUPAC Traditional name: (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
• Synonyms: 1-(3-methyl-4,5-dihydro-5-isoxazolyl)methanamine

Database IDs

• CAS Number: 959311-13-8
• MDL Number: MFCD11215428

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2547765
• LogD (pH = 7.4): -2.0759473
• Log P: -0.30515465
• Molar Refractivity: 30.2591 cm^3
• Polarizability: 12.163895 Å^3
• Polar Surface Area: 47.61 Å^2