3-Methyl-1,2,4-oxadiazole-5-ethanamine - CAS 147216-21-5

Name: 3-Methyl-1,2,4-oxadiazole-5-ethanamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB010178
Product Name:	3-Methyl-1,2,4-oxadiazole-5-ethanamine
CAS:	147216-21-5
Synonyms:	2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine; 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine
Description:	3-Methyl-1,2,4-oxadiazole-5-ethanamine (CAS# 147216-21-5) is a useful research chemical.
Molecular Weight:	127.14
Molecular Formula:	C5H9N3O
Canonical SMILES:	CC1=NOC(=N1)CCN
InChI:	InChI=1S/C5H9N3O/c1-4-7-5(2-3-6)9-8-4/h2-3,6H2,1H3
InChI Key:	VRWWVRDLCMPKME-UHFFFAOYSA-N
MDL:	MFCD09971810
LogP:	0.57950

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]C9H9ClN4O3
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]C9H9IN4O3
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[1018125-37-5]C11H9FN2O3
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]C9H8N2O3S
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]C13H14N2O5
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]C11H9N3O5
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate

Publication Number	Title	Priority Date
US-2016222016-A1	Heterocyclic compounds and uses thereof	20131004
US-9751888-B2	Heterocyclic compounds and uses thereof	20131004
US-2010137313-A1	Heterocyclic derivatives and methods of use thereof	20081003
AU-2004268050-A1	5-phenyl-4-methyl-thiazol-2-yl-amine derivatives as inhibitors of phosphatidylinositol 3 kinase enzymes (pi3) for the treatment of inflammatory airway diseases	20030828
AU-2004268050-B2	5-phenyl-4-methyl-thiazol-2-yl-amine derivatives as inhibitors of phosphatidylinositol 3 kinase enzymes (pi3) for the treatment of inflammatory airway diseases	20030828

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