Compound Identification
SMILES
N#CC1=C(NCCC2=CC=CC=C2)OC(=N1)C1=CC=CO1
InChIKey
InChIKey=WZVMSOYOJSVRQW-UHFFFAOYSA-N
Formula
C16H13N3O2
Mass
279.299
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
Secondary alkylarylamines Benzene and substituted derivatives Heteroaromatic compounds Furans Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-oxazole - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Azacycle - Secondary amine - Nitrile - Carbonitrile - Oxacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - 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