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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

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

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

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170802-11-5]
Ethyl 3-((4-chloro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[956263-70-0]
Ethyl 3-((4-Iodo-1H-Pyrazol-1-Yl)Methyl)-1,2,4-Oxadiazole-5-Carboxylate
[697245-66-2]
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[1006326-48-2]
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[163719-81-1]
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-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

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