Compound Identification
SMILES
CC(C)OC1=C(C=C(C=C1)C1=NC(=NO1)C1=C(C)C=C(C=C1)C(C)CC(O)=O)C(F)(F)F
InChIKey
InChIKey=NPYHQSNOTFSWLT-UHFFFAOYSA-N
Formula
C23H23F3N2O4
Mass
448.442
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxadiazoles
-
Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
-
Level 5
1,2,4-oxadiazoles
-
Subclass
Oxadiazoles
-
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
Phenylpropanoic acids Trifluoromethylbenzenes Aromatic monoterpenoids Monocyclic monoterpenoids Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Alkyl fluorides Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - 3-phenylpropanoic-acid - P-cymene - Aromatic monoterpenoid - Trifluoromethylbenzene - Monocyclic monoterpenoid - Monoterpenoid - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Hydrocarbon derivative - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organopnictogen 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