4-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]aniline

• ChemBase ID: 799539
• Molecular Formular: C15H11ClN2O
• Molecular Mass: 270.71364
• Monoisotopic Mass: 270.05599066
• SMILES: Nc1ccc(cc1)c1occ(n1)c1c(cccc1)Cl
• Canonical SMILES: Nc1ccc(cc1)c1occ(n1)c1ccccc1Cl
• InChI: InChI=1S/C15H11ClN2O/c16-13-4-2-1-3-12(13)14-9-19-15(18-14)10-5-7-11(17)8-6-10/h1-9H,17H2
• InChIKey: OVQNVKYJFFUTID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]aniline
• IUPAC Traditional name: 4-[4-(2-chlorophenyl)-1,3-oxazol-2-yl]aniline
• Synonyms: 4-(4-(2-chlorophenyl)oxazol-2-yl)aniline

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7475235
• LogD (pH = 7.4): 3.7480946
• Log P: 3.748102
• Molar Refractivity: 86.1384 cm^3
• Polarizability: 30.57007 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%