diethyl-1,2-oxazol-5-amine

• ChemBase ID: 307416
• Molecular Formular: C7H12N2O
• Molecular Mass: 140.18298
• Monoisotopic Mass: 140.09496301
• SMILES: c1(c(onc1CC)N)CC
• Canonical SMILES: CCc1c(CC)noc1N
• InChI: InChI=1S/C7H12N2O/c1-3-5-6(4-2)9-10-7(5)8/h3-4,8H2,1-2H3
• InChIKey: UVZVKESDPCGFHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethyl-1,2-oxazol-5-amine
• IUPAC Traditional name: diethyl-1,2-oxazol-5-amine
• Synonyms: 3,4-diethylisoxazol-5-amine

Database IDs

• CAS Number: 71378-51-3
• MDL Number: MFCD08059970

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3871856
• LogD (pH = 7.4): 1.3880414
• Log P: 1.3880523
• Molar Refractivity: 40.3143 cm^3
• Polarizability: 14.667655 Å^3
• Polar Surface Area: 52.05 Å^2