Compound Identification
SMILES
COC1=CC(=CC(C)=C1OCC(O)CO)C1=NOC(=N1)C1=CC(C)=NC(NC(C)C)=N1
InChIKey
InChIKey=MVQCOCJABQAGMI-UHFFFAOYSA-N
Formula
C21H27N5O5
Mass
429.477
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Oxadiazoles
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Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
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Level 5
1,2,4-oxadiazoles
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Subclass
Oxadiazoles
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Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxadiazoles
Intermediate Tree Nodes
1,2,4-oxadiazoles
Direct Parent
Phenyloxadiazoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Toluenes Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Heteroaromatic compounds Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Toluene - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Azacycle - Ether - Oxacycle - Secondary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors
Not available