Compound Identification
SMILES
CCOC(=O)C1=C(NN=C1)N1NC(=NC1=O)C(NC1=CC=C(C=C1)C1=NOC(C)=N1)C1=CC(OC)=C(OC)C=C1F
InChIKey
InChIKey=UQPLMIORTCZKDR-UHFFFAOYSA-N
Formula
C26H25FN8O6
Mass
564.534
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
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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
Dimethoxybenzenes Pyrazole carboxylic acids and derivatives Phenylalkylamines Phenoxy compounds Aniline and substituted anilines Anisoles Secondary alkylarylamines Alkyl aryl ethers Fluorobenzenes Aryl fluorides Vinylogous amides Triazoles Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Pyrazole-4-carboxylic acid or derivatives - Aniline or substituted anilines - Phenylalkylamine - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Vinylogous amide - 1,2,4-triazole - Heteroaromatic compound - Pyrazole - Carboxylic acid ester - Amino acid or derivatives - Oxacycle - Ether - Azacycle - Carboxylic acid derivative - Secondary amine - Organofluoride - Organohalogen compound - Amine - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic 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