3-(2-Chlorophenyl)-5-methyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)isoxazole-4-carboxamide

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Systematic / IUPAC Name: 3-(2-Chlorophenyl)-5-methyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,2-oxazole-4-carboxamide

ID: Reference6544

Other Names: 4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-5-methyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-

Formula: C21H14ClF3N4O3

Spectral Data

3-(2-Chlorophenyl)-5-methyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)isoxazole-4-carboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 785
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 4/7/2017 11:50:41 AM
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Identificators

InChI InChI=1S/C21H14ClF3N4O3/c1-11-17(18(28-31-11)14-4-2-3-5-15(14)22)20(30)26-10-16-27-19(29-32-16)12-6-8-13(9-7-12)21(23,24)25/h2-9H,10H2,1H3,(H,26,30)
InChI Key YCRGINBWVQHNRF-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)NCC3=NC(=NO3)C4=CC=C(C=C4)C(F)(F)F
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Other Names 4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-5-methyl-N-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-

In Other Databases

ChemSpider 2087891
PubChem 2809469
ChEMBL CHEMBL1341334