Compound Identification
SMILES
CCC(C)C1=CC2=C(OC(=N2)C2=CC(NC=C3C=C(CC4=CC=CC=C4Cl)C=C(C3=O)[N+]([O-])=O)=CC=C2)C=C1
InChIKey
InChIKey=BBCSTXANMUQJHD-UHFFFAOYSA-N
Formula
C31H26ClN3O4
Mass
540.02
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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Subclass
Oxazoles
- Level 5 Phenyl-1,3-oxazoles
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Subclass
Oxazoles
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Class
Azoles
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Oxazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl-1,3-oxazoles
Alternative Parents
Benzoxazoles Aniline and substituted anilines O-quinomethanes Chlorobenzenes Aryl chlorides Vinylogous amides Heteroaromatic compounds C-nitro compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Enamines Allylamines Organic oxoazanium compounds Organic zwitterions Aldehydes Organic salts Hydrocarbon derivatives Organopnictogen compounds Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,3-oxazole - Benzoxazole - O-quinomethane - Quinomethane - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketone - C-nitro compound - Cyclic ketone - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Azacycle - Allylamine - Enamine - Oxacycle - Organic oxoazanium - Organic salt - Organohalogen compound - Organochloride - Amine - Aldehyde - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic zwitterion - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
External Descriptors
Not available