Compound Identification
SMILES
BrC1=CC2=C(OC(SCC(=O)N3CCOCC3)=N2)C=C1
InChIKey
InChIKey=BNGZNEGQLNQLHS-UHFFFAOYSA-N
Formula
C13H13BrN2O3S
Mass
357.22
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzoxazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazoles
Alternative Parents
Alkylarylthioethers Aryl bromides Benzenoids Morpholines Tertiary carboxylic acid amides Oxazoles Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazole - Aryl thioether - Alkylarylthioether - Aryl bromide - Aryl halide - Morpholine - Benzenoid - Oxazinane - Azole - Heteroaromatic compound - Oxazole - Tertiary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazoles. These are organic compounds containing a benzene fused to an oxazole ring Oxazole is five-membered aromatic ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively.
External Descriptors
Not available