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Ethyl 3-Methyl-1,2,4-oxadiazole-5-carboxylate

Ethyl 3-Methyl-1,2,4-oxadiazole-5-carboxylate - CAS 40019-21-4

Catalog:	BB024259
Product Name:	Ethyl 3-Methyl-1,2,4-oxadiazole-5-carboxylate
CAS:	40019-21-4
Synonyms:	3-methyl-1,2,4-oxadiazole-5-carboxylic acid ethyl ester; ethyl 3-methyl-1,2,4-oxadiazole-5-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	ethyl 3-methyl-1,2,4-oxadiazole-5-carboxylate
Description:	Ethyl 3-Methyl-1,2,4-oxadiazole-5-carboxylate (CAS# 40019-21-4) is a useful research chemical.
Molecular Weight:	156.14
Molecular Formula:	C6H8N2O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)C
InChI:	InChI=1S/C6H8N2O3/c1-3-10-6(9)5-7-4(2)8-11-5/h3H2,1-2H3
InChI Key:	YPNCRQZLESKCGY-UHFFFAOYSA-N
MDL:	MFCD08275042
LogP:	0.55470

Publication Number	Title	Priority Date
WO-2020030781-A1	Tricyclic inhibitors of hepatitis b virus	20180810
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TW-201927779-A	1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor	20171220

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]
DBCO-PEG4-NHS ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.05349212
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.05349212
Rotatable Bond Count:	3
Topological Polar Surface Area:	65.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1