Compound Identification
SMILES
COCCN1C(=O)C2=C(N=CN2C2=C1C=C(Cl)C=C2)C1=NOC(=N1)C1=C(F)C=C(F)C=C1
InChIKey
InChIKey=CTSKVZHRRRXBNC-UHFFFAOYSA-N
Formula
C21H14ClF2N5O3
Mass
457.82
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Oxadiazoles
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Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
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Level 5
1,2,4-oxadiazoles
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Subclass
Oxadiazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxadiazoles
Intermediate Tree Nodes
1,2,4-oxadiazoles
Direct Parent
Phenyloxadiazoles
Alternative Parents
Quinoxalines Imidazo[1,5-a]pyrazines Fluorobenzenes Pyrazines Aryl chlorides Aryl fluorides N-substituted imidazoles Heteroaromatic compounds Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organofluorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Quinoxaline - Imidazo[1,5-a]pyrazine - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazine - N-substituted imidazole - Heteroaromatic compound - Imidazole - Lactam - Dialkyl ether - Ether - Oxacycle - Azacycle - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors
Not available