3-Ethyl-1,2,4-oxadiazole-5-methanamine - CAS 103457-61-0

Catalog:	BB001140
Product Name:	3-Ethyl-1,2,4-oxadiazole-5-methanamine
CAS:	103457-61-0
Synonyms:	(3-ethyl-1,2,4-oxadiazol-5-yl)methanamine; (3-ethyl-1,2,4-oxadiazol-5-yl)methanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	(3-ethyl-1,2,4-oxadiazol-5-yl)methanamine
Description:	3-Ethyl-1,2,4-oxadiazole-5-methanamine (CAS# 103457-61-0) is a useful research chemical compound.
Molecular Weight:	127.14
Molecular Formula:	C5H9N3O
Canonical SMILES:	CCC1=NOC(=N1)CN
InChI:	InChI=1S/C5H9N3O/c1-2-4-7-5(3-6)9-8-4/h2-3,6H2,1H3
InChI Key:	FDWYISIKXAASEG-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	1.59300

Publication Number	Title	Priority Date
US-2017190685-A1	Selective matrix metalloproteinase inhibitors	20140220
AU-2011292040-A1	Compounds and methods for the treatment or prevention of Flaviviridae viral infections	20100817
EP-2606041-A2	Compounds and methods for the treatment or prevention of flaviviridae viral infections	20100817
JP-2013534249-A	Compounds and methods for the treatment or prevention of Flaviviridae viral infections	20100817
US-2014065103-A1	Compounds and methods for the treatment or prevention of flaviviridae viral infections	20100817

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1170088-37-5]
Ethyl 3-(2-(1H-pyrazol-1-yl)propyl)-1,2,4-oxadiazole-5-carboxylate
[1171327-12-0]
Ethyl 3-(2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[73185-75-8]
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[4970-53-0]
Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate

Complexity:	88.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.074561919
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	127.074561919
Rotatable Bond Count:	2
Topological Polar Surface Area:	64.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1