Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate - CAS 4970-53-0

Catalog:	BB026798
Product Name:	Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate
CAS:	4970-53-0
Synonyms:	ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate
Description:	Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate (CAS# 4970-53-0) is a useful research chemical.
Molecular Weight:	157.13
Molecular Formula:	C5H7N3O3
Canonical SMILES:	CCOC(=O)C1=NN=C(O1)N
InChI:	InChI=1S/C5H7N3O3/c1-2-10-4(9)3-7-8-5(6)11-3/h2H2,1H3,(H2,6,8)
InChI Key:	JZSBFOOEPYPCPW-UHFFFAOYSA-N
Boiling Point:	289.1 °C at 760 mmHg
Purity:	98.0 % (GC)
Density:	1.362 g/cm³
MDL:	MFCD03425200
LogP:	0.40970

Publication Number	Title	Priority Date
JP-2021152037-A	Heterocyclic amide compound	20210611
JP-2020164533-A	Heterocyclic amide compound	20200529
WO-2021071806-A1	Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007
CN-113272309-A	Tricyclic inhibitors of hepatitis B virus	20180810
US-2021047316-A1	Benzamide antibacterial agents	20180412

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Related Functional Groups

Oxadiazole/Thiadiazole

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1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
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Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
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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
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.04874109
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	157.04874109
Rotatable Bond Count:	3
Topological Polar Surface Area:	91.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0