Compound Identification
SMILES
N#CC1=C(NCC2=CC=CC=C2)OC(=N1)C1=CC=C(COC2=CC=CC=C2)O1
InChIKey
InChIKey=WLDWKJYWQIPSLH-UHFFFAOYSA-N
Formula
C22H17N3O3
Mass
371.396
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
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
Phenoxy compounds Phenol ethers Benzylamines Alkyl aryl ethers Heteroaromatic compounds Furans Oxacyclic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted 1,3-oxazole - Phenoxy compound - Benzylamine - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Furan - Heteroaromatic compound - Nitrile - Carbonitrile - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - 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