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

5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt - CAS 888504-28-7

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

Catalog:	BB039272
Product Name:	5-Methyl-1,3,4-oxadiazole-2-carboxylic acid potassium salt
CAS:	888504-28-7
Synonyms:	potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	potassium;5-methyl-1,3,4-oxadiazole-2-carboxylate
Description:	An intermediate in the preparation of HIV-integrase inhibitors.
Molecular Weight:	166.18
Molecular Formula:	C4H3KN2O3
Canonical SMILES:	CC1=NN=C(O1)C(=O)[O-].[K+]
InChI:	InChI=1S/C4H4N2O3.K/c1-2-5-6-3(9-2)4(7)8;/h1H3,(H,7,8);/q;+1/p-1
InChI Key:	BRHMYHXNUGVBCU-UHFFFAOYSA-M
Purity:	95 %
Appearance:	Off-white solid
MDL:	MFCD08060085
LogP:	-0.00090

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Related Functional Groups

Oxadiazole/Thiadiazole

[1171337-26-0]C11H13ClN4O3
Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[1170042-55-3]C12H16N4O3
Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
[261626-93-1]C9H8N2O3S
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]C11H9N3O5
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]C11H9FN2O3
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

GHS Hazard Statement:	H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P201, P202, P261, P264, P271, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-113272309-A	Tricyclic inhibitors of hepatitis B virus	20180810
US-2020330466-A1	Process for the preparation of raltegravir	20171114
EP-3472134-B1	Process for preparing compounds useful as intermediates for the preparation of raltegravir	20160621
CA-2995099-A1	Pyridin-3-yl acetic acid derivatives as inhibitors of human immunodeficiency virus replication	20150812
JP-2018522926-A	Pyridin-3-ylacetic acid derivatives as inhibitors of human immunodeficiency virus replication	20150812

Complexity:	132
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.97807345
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.97807345
Rotatable Bond Count:	1
Topological Polar Surface Area:	79 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0