Compound Identification
SMILES
CC1=C(N=C(NC2=C(C)C=CC=C2C)O1)C#N
InChIKey
InChIKey=JCHCRCITMCBUTO-UHFFFAOYSA-N
Formula
C13H13N3O
Mass
227.267
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxazoles
- Level 5 2,4,5-trisubstituted oxazoles
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Subclass
Oxazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
2,4,5-trisubstituted oxazoles
Alternative Parents
m-Xylenes Aniline and substituted anilines Heteroaromatic compounds Secondary amines Oxacyclic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-oxazole - Aniline or substituted anilines - Xylene - M-xylene - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Azacycle - Secondary amine - Nitrile - Carbonitrile - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2, 4 and 5 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
External Descriptors
Not available