Compound Identification
SMILES
CCC1=C(NC2=C(C)N=NC(CC3=CC=CC=C3)=N2)N=CO1
InChIKey
InChIKey=BNWQAUKYRLOBDV-UHFFFAOYSA-N
Formula
C16H17N5O
Mass
295.346
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxazoles
- Level 5 4,5-disubstituted 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
4,5-disubstituted oxazoles
Alternative Parents
Imidolactams Benzene and substituted derivatives 1,2,4-triazines Heteroaromatic compounds Secondary amines Oxacyclic compounds Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4,5-disubstituted 1,3-oxazole - Monocyclic benzene moiety - Triazine - Benzenoid - Imidolactam - 1,2,4-triazine - Heteroaromatic compound - Secondary amine - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 4,5-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 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