4-ethyl-3-methyl-1,2-oxazol-5-amine

• ChemBase ID: 307415
• Molecular Formular: C6H10N2O
• Molecular Mass: 126.1564
• Monoisotopic Mass: 126.07931295
• SMILES: c1(c(onc1C)N)CC
• Canonical SMILES: CCc1c(N)onc1C
• InChI: InChI=1S/C6H10N2O/c1-3-5-4(2)8-9-6(5)7/h3,7H2,1-2H3
• InChIKey: JBQKXIAKMNHYEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-3-methyl-1,2-oxazol-5-amine
• IUPAC Traditional name: 4-ethyl-3-methyl-1,2-oxazol-5-amine
• Synonyms: 4-ethyl-3-methylisoxazol-5-amine

Database IDs

• CAS Number: 91084-67-2
• MDL Number: MFCD08059969

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6863555
• LogD (pH = 7.4): 0.68750185
• Log P: 0.6875165
• Molar Refractivity: 35.6874 cm^3
• Polarizability: 12.836104 Å^3
• Polar Surface Area: 52.05 Å^2