1-(3-ethyl-1,2-oxazol-5-yl)ethan-1-amine

• ChemBase ID: 308941
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: c1(onc(c1)CC)C(N)C
• Canonical SMILES: CCc1noc(c1)C(N)C
• InChI: InChI=1S/C7H12N2O/c1-3-6-4-7(5(2)8)10-9-6/h4-5H,3,8H2,1-2H3
• InChIKey: WCHKKMWBLWJUMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-ethyl-1,2-oxazol-5-yl)ethan-1-amine
• IUPAC Traditional name: 1-(3-ethyl-1,2-oxazol-5-yl)ethanamine
• Synonyms: 1-(3-ethyl-5-isoxazolyl)ethanamine

Database IDs

• CAS Number: 1209818-13-2
• MDL Number: MFCD12827509

CALCULATED PROPERTIES

• LogD (pH = 7.4): -0.05184366
• Log P: 0.6320418
• Molar Refractivity: 39.4881 cm^3
• Polarizability: 15.121736 Å^3
• Polar Surface Area: 52.05 Å^2
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7461842