Compound Identification
SMILES
FC(F)(F)[C@]1(OC(=O)NC2=C1C=C(Cl)C=C2)C#CC1CC1.COC1=CC=CC=C1C1=NOC(=O)N1C1=CC=CC(=C1)C(F)(F)F
InChIKey
InChIKey=UQLAVSYKYUMQEN-RSJBZBQMSA-N
Formula
C30H20ClF6N3O5
Mass
651.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
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
Trifluoromethylbenzenes Benzoxazines Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Ynones Aryl chlorides Carbamate esters Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organochlorides Organofluorides Alkyl fluorides Organonitrogen compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Phenyl-1,2,4-oxadiazole - Benzoxazine - Trifluoromethylbenzene - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ynone - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Oxacycle - Azacycle - Ether - Organic oxide - Organofluoride - Organochloride - Organohalogen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Alkyl halide - Organooxygen compound - Alkyl fluoride - 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