2-Amino-1,3,4-oxadiazole - CAS 3775-60-8

Catalog:	BB023404
Product Name:	2-Amino-1,3,4-oxadiazole
CAS:	3775-60-8
Synonyms:	1,3,4-oxadiazol-2-amine; 1,3,4-oxadiazol-2-amine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1,3,4-oxadiazol-2-amine
Description:	2-Amino-1,3,4-oxadiazole (CAS# 3775-60-8) is a useful research chemical.
Molecular Weight:	85.06
Molecular Formula:	C2H3N3O
Canonical SMILES:	C1=NN=C(O1)N
InChI:	InChI=1S/C2H3N3O/c3-2-5-4-1-6-2/h1H,(H2,3,5)
InChI Key:	APKZPKINPXTSNL-UHFFFAOYSA-N
Boiling Point:	205.6 °C at 760 mmHg
Density:	1.395 g/cm³
Appearance:	Solid
LogP:	0.23300

Publication Number	Title	Priority Date
JP-2021152037-A	Heterocyclic amide compound	20210611
CN-113307780-A	Preparation method of 2-amino-1, 3, 4-oxadiazole compound and compound prepared by same	20210425
CN-111978312-A	5-aryl-1, 3, 4-thiadiazole/1, 3, 4-oxadiazole-2-amine compound and preparation method and application thereof	20200918
JP-2020164533-A	Heterocyclic amide compound	20200529
WO-2021164746-A1	Substituted aryl compound	20200219

PMID	Publication Date	Title	Journal
22503248	20120515	Identification of a series of 1,3,4-oxadiazol-2-amines as potent alpha-7 agonists with efficacy in the novel object recognition model of cognition	Bioorganic & medicinal chemistry letters
22503453	20120515	The discovery of 2-fluoro-N-(3-fluoro-4-(5-((4-morpholinobutyl)amino)-1,3,4-oxadiazol-2-yl)phenyl)benzamide, a full agonist of the alpha-7 nicotinic acetylcholine receptor showing efficacy in the novel object recognition model of cognition enhancement	Bioorganic & medicinal chemistry letters
15794341	20041101	Synthesis and tuberculostatic activity of some (4-phenylpiperazin-1-ylmethyl)-1,3,4-oxadiazole and (4-phenylpiperazin-1-ylmethyl)-1,2,4-triazole derivatives	Acta poloniae pharmaceutica
12375965	20021018	Total synthesis of anhydrolycorinone utilizing sequential intramolecular Diels-Alder reactions of a 1,3,4-oxadiazole	The Journal of organic chemistry

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Related Functional Groups

Amines and Anilines

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Oxadiazole/Thiadiazole

[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[478030-57-8]
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
[1018125-29-5]
Ethyl 3-cyclopropyl-1,2,4-oxadiazole-5-carboxylate
[4970-53-0]
Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate
[55983-96-5]
Methyl-(3-phenyl-[1,2,4]oxadiazol-5-ylmethyl)-amine

GHS Hazard Statement:	H314 (66.67%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	48.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	85.027611728
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	85.027611728
Rotatable Bond Count:	0
Topological Polar Surface Area:	64.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.4