5-methyl-n-(pyridin-3-ylmethyl)isoxazol-3-amine (CHEBI:167778)

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CHEBI:167778 - 5-methyl-n-(pyridin-3-ylmethyl)isoxazol-3-amine

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ChEBI ID	CHEBI:167778
ChEBI Name	5-methyl-n-(pyridin-3-ylmethyl)isoxazol-3-amine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C10H11N3O
Net Charge	0
Average Mass	189.218
Monoisotopic Mass	189.09021
SMILES	Cc1cc(NCc2cccnc2)no1
InChI	InChI=1S/C10H11N3O/c1-8-5-10(13-14-8)12-7-9-3-2-4-11-6-9/h2-6H,7H2,1H3,(H,12,13)
InChIKey	YCTIWOKDBYCFJC-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood serum (BTO:0000133)	MetaboLights (MTBLS2542)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	5-methyl-n-(pyridin-3-ylmethyl)isoxazol-3-amine (CHEBI:167778) is a secondary amine (CHEBI:32863)

IUPAC Name
5-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazol-3-amine

Manual Xrefs	Databases
2008752	ChemSpider