Compound Identification
SMILES
COC(C\C=C\Br)\C=C\C(\C)=C\[C@@H](O)[C@H]1CC(C[C@@](O)(CC2=NC(\C=C(/C)[C@@H]3O[C@@H]4C\C=C\C5=NC(=CO5)C5CCCC(C[C@H]6CC(=C)C[C@H](C\C=C/C(=O)O[C@@H]([C@H]4C)[C@H]3C)O6)O5)=CO2)O1)OC
InChIKey
InChIKey=VTCOMGIGQUJTTN-GWPOGLOCSA-N
Formula
C53H71BrN2O12
Mass
1008.057
Taxonomic Classification
Taxonomy Tree
-
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-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
2,4-disubstituted oxazoles
Alternative Parents
Oxanes Enoate esters Heteroaromatic compounds Hemiacetals Secondary alcohols Lactones Monocarboxylic acids and derivatives Bromoalkenes Azacyclic compounds Vinyl bromides Dialkyl ethers Oxacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,4-disubstituted 1,3-oxazole - Oxane - Heteroaromatic compound - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Hemiacetal - Lactone - Secondary alcohol - Carboxylic acid derivative - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Azacycle - Vinyl bromide - Vinyl halide - Bromoalkene - Haloalkene - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 4 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