Compound Identification
SMILES
CC1=CC(NC2=NC(NC3=CC(C)=C(F)C(C)=C3)=NC=C2C)=CC2=C1OC(=O)N2
InChIKey
InChIKey=AIBONUWYLTVRTC-UHFFFAOYSA-N
Formula
C21H20FN5O2
Mass
393.422
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzoxazoles
- Subclass Benzoxazolones
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Class
Benzoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Benzoxazolones
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazolones
Alternative Parents
m-Xylenes Aniline and substituted anilines Fluorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl fluorides Oxazoles Heteroaromatic compounds Secondary amines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazolone - M-xylene - Xylene - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Oxazole - Azacycle - Oxacycle - Secondary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
External Descriptors
Not available