2-chloro-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)pyridine

• ChemBase ID: 96148
• Molecular Formular: C15H7Cl2F3N2O
• Molecular Mass: 359.1300896
• Monoisotopic Mass: 357.98875287
• SMILES: n1c(c2c(cc(nc2)Cl)C(F)(F)F)oc(c1)c1cccc(c1)Cl
• Canonical SMILES: Clc1ncc(c(c1)C(F)(F)F)c1ncc(o1)c1cccc(c1)Cl
• InChI: InChI=1S/C15H7Cl2F3N2O/c16-9-3-1-2-8(4-9)12-7-22-14(23-12)10-6-21-13(17)5-11(10)15(18,19)20/h1-7H
• InChIKey: XHAYAKQCUJFLPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-chloro-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)pyridine
• Synonyms: 2-chloro-5-[5-(3-chlorophenyl)-1,3-oxazol-2-yl]-4-(trifluoromethyl)pyridine

Database IDs

• MDL Number: MFCD01566761
• PubChem SID: 162082797
• PubChem CID: 632202

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.595574
• LogD (pH = 7.4): 4.5955763
• Log P: 4.5955763
• Molar Refractivity: 91.3704 cm^3
• Polarizability: 31.55675 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true