3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine

• ChemBase ID: 306983
• Molecular Formular: C11H11FN2O
• Molecular Mass: 206.2162432
• Monoisotopic Mass: 206.0855412
• SMILES: c1(c(onc1CC)N)c1ccc(cc1)F
• Canonical SMILES: CCc1noc(c1c1ccc(cc1)F)N
• InChI: InChI=1S/C11H11FN2O/c1-2-9-10(11(13)15-14-9)7-3-5-8(12)6-4-7/h3-6H,2,13H2,1H3
• InChIKey: LJMQWOISRINAAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine
• IUPAC Traditional name: 3-ethyl-4-(4-fluorophenyl)-1,2-oxazol-5-amine
• Synonyms: 3-ethyl-4-(4-fluorophenyl)isoxazol-5-amine

Database IDs

• CAS Number: 915923-98-7
• MDL Number: MFCD08691464

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2195911
• LogD (pH = 7.4): 2.2199845
• Log P: 2.2199895
• Molar Refractivity: 56.0247 cm^3
• Polarizability: 21.650333 Å^3
• Polar Surface Area: 52.05 Å^2