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5-Methyl-1,2,4-oxadiazole-3-carboxylic acid

5-Methyl-1,2,4-oxadiazole-3-carboxylic acid - CAS 19703-92-5

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

Catalog:	BB015224
Product Name:	5-Methyl-1,2,4-oxadiazole-3-carboxylic acid
CAS:	19703-92-5
Synonyms:	5-methyl-1,2,4-oxadiazole-3-carboxylic acid; 5-methyl-1,2,4-oxadiazole-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methyl-1,2,4-oxadiazole-3-carboxylic acid
Description:	5-Methyl-1,2,4-oxadiazole-3-carboxylic acid (CAS# 19703-92-5) is used as a reagent in the preparation of N-sulfonyloxadiazolecarboxamide.
Molecular Weight:	128.09
Molecular Formula:	C4H4N2O3
Canonical SMILES:	CC1=NC(=NO1)C(=O)O
InChI:	InChI=1S/C4H4N2O3/c1-2-5-3(4(7)8)6-9-2/h1H3,(H,7,8)
InChI Key:	UGENJCBDFKUWDO-UHFFFAOYSA-N
Boiling Point:	317.895 °C at 760 mmHg
Density:	1.464 g/cm³
MDL:	MFCD08236814
LogP:	0.07620

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Related Functional Groups

Carbonyl Compounds

[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[438616-66-1]C14H20N2O
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide
[69616-74-6]C18H18O6
2',4-Dihydroxy-3',4',6'-trimethoxychalcone

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
TW-201927779-A	1H-pyrazolo[4,3-b]pyridine as a PDE1 inhibitor	20171220
AU-2018244211-A1	Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6	20170326
CA-3054945-A1	Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6	20170326
JP-2020512401-A	Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of GPR6	20170326
US-2020375969-A1	Piperidinyl- and piperazinyl-substituted heteroaromatic carboxamides as modulators of gpr6	20170326

Complexity:	127
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.02219199
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	128.02219199
Rotatable Bond Count:	1
Topological Polar Surface Area:	76.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.4