CHEBI:121498 - 5-(4-methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile

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ChEBI Name 5-(4-methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile
ChEBI ID CHEBI:121498
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H17N3O3
Net Charge 0
Average Mass 335.357
Monoisotopic Mass 335.12699
InChI InChI=1S/C19H17N3O3/c1-13-4-3-5-16(10-13)24-12-18-22-17(11-20)19(25-18)21-14-6-8-15(23-2)9-7-14/h3-10,21H,12H2,1-2H3
InChIKey VAUQZYVHGDOEDQ-UHFFFAOYSA-N
SMILES CC1=CC(=CC=C1)OCC2=NC(=C(O2)NC3=CC=C(C=C3)OC)C#N
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 5-(4-methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile (CHEBI:121498) is a methoxybenzenes (CHEBI:51683)
5-(4-methoxyanilino)-2-[(3-methylphenoxy)methyl]-4-oxazolecarbonitrile (CHEBI:121498) is a substituted aniline (CHEBI:48975)
Manual Xref Database
LSM-32941 LINCS
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