Compound Identification
SMILES
COC1=C(OC2CCCC2)C=C(NC(=O)N2CCCN(CC3=NOC(=N3)C3=CC=CC=C3)CC2)C=C1
InChIKey
InChIKey=NROXTVMLLVIJAS-UHFFFAOYSA-N
Formula
C27H33N5O4
Mass
491.592
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Oxadiazoles
-
Level 5
1,2,4-oxadiazoles
- Level 6 Phenyloxadiazoles
-
Level 5
1,2,4-oxadiazoles
-
Subclass
Oxadiazoles
-
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
N-phenylureas Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles 1,4-diazepanes Alkyl aryl ethers Aralkylamines Heteroaromatic compounds Ureas Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-oxadiazole - N-phenylurea - Methoxyaniline - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1,4-diazepane - Alkyl aryl ether - Diazepane - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Urea - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Oxacycle - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Amine - 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