Compound Identification
SMILES
C[C@H](O)[C@@H](O)[C@@H](O)C[C@@H](O)C1=COC(CC2=CN=CO2)=N1
InChIKey
InChIKey=YRTRIOYYQNZBGH-LXOIKGMDSA-N
Formula
C13H18N2O6
Mass
298.295
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
-
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
Heteroaromatic compounds Secondary alcohols Polyols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4-disubstituted 1,3-oxazole - Heteroaromatic compound - Secondary alcohol - Oxacycle - Azacycle - Polyol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic 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