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CHEBI:90542 - 4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide

ChEBI IDCHEBI:90542
ChEBI Name4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide
Stars
ASCII Name4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide
DefinitionA biaryl resulting from the formal oxidative coupling of the 6 position of 3-(piperidin-4-yl)-1,2-benzoxazole with the 3 position of p-toluic acid and subsequent condensation of the carboxy group with the primary amino group of 3-(morpholin-4-yl)aniline to give the corresponding carboxamide. An inhibitor of p38-α MAP kinase.
Last Modified26 November 2015
Submittermziehm
DownloadsMolfile
FormulaC30H32N4O3
Net Charge0
Average Mass496.611
Monoisotopic Mass496.24744
SMILESCc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1-c1ccc2c(C3CCNCC3)noc2c1
InChIInChI=1S/C30H32N4O3/c1-20-5-6-23(30(35)32-24-3-2-4-25(19-24)34-13-15-36-16-14-34)17-27(20)22-7-8-26-28(18-22)37-33-29(26)21-9-11-31-12-10-21/h2-8,17-19,21,31H,9-16H2,1H3,(H,32,35)
InChIKeyUVUGBBNUQBSROH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
ChEBI Ontology
Outgoing Relation(s)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a 1,2-benzoxazoles (CHEBI:51545)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a benzamides (CHEBI:22702)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a biaryl (CHEBI:64459)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a morpholines (CHEBI:38785)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a piperidines (CHEBI:26151)
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide (CHEBI:90542) is a secondary amino compound (CHEBI:50995)
IUPAC Name 
4-methyl-N-[3-(morpholin-4-yl)phenyl]-3-[3-(piperidin-4-yl)-1,2-benzoxazol-6-yl]benzamide
Synonym  Source
4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamideChEBI
Manual XrefsDatabases
19BPDBeChem
Registry NumbersSources
Reaxys:12282858Reaxys
Citations