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

• ChemBase ID: 265924
• Molecular Formular: C15H10ClFN2O
• Molecular Mass: 288.7041032
• Monoisotopic Mass: 288.04656885
• SMILES: c1(c(noc1N)c1ccc(cc1)F)c1ccc(cc1)Cl
• Canonical SMILES: Fc1ccc(cc1)c1noc(c1c1ccc(cc1)Cl)N
• InChI: InChI=1S/C15H10ClFN2O/c16-11-5-1-9(2-6-11)13-14(19-20-15(13)18)10-3-7-12(17)8-4-10/h1-8H,18H2
• InChIKey: UJZHVJQQPYUTDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12541217
• PubChem SID: 164321834
• PubChem CID: 43335820

CALCULATED PROPERTIES

• Acid pKa: 15.867826
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.0251427
• LogD (pH = 7.4): 4.025203
• Log P: 4.0252037
• Molar Refractivity: 76.3753 cm^3
• Polarizability: 30.858986 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.031

Product Information

• Purity: 95%