2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid - CAS 55151-91-2

Catalog:	BB028924
Product Name:	2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid
CAS:	55151-91-2
Synonyms:	2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid; 2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid
Description:	2-(3-methyl-1,2,4-oxadiazol-5-yl)acetic acid (CAS# 55151-91-2) is a useful research chemical.
Molecular Weight:	142.114
Molecular Formula:	C5H6N2O3
Canonical SMILES:	CC1=NOC(=N1)CC(=O)O
InChI:	InChI=1S/C5H6N2O3/c1-3-6-4(10-7-3)2-5(8)9/h2H2,1H3,(H,8,9)
InChI Key:	SPLXTCXODDVKKW-UHFFFAOYSA-N
LogP:	0.00510

Publication Number	Title	Priority Date
US-2021309660-A1	(4-hydroxypyrrolidin-2-yl)-heterocyclic compounds and methods of use thereof	20171024
AU-2018234931-A1	Kappa opioid receptor antagonists and products and methods related thereto	20170317
BR-112019019157-A2	kappa-opioid receptor antagonists and related products and methods	20170317
CA-3056426-A1	Kappa opioid receptor antagonists and products and methods related thereto	20170317
CN-110914262-A	Kappa opioid receptor antagonists and products and methods related thereto	20170317

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Related Functional Groups

Oxadiazole/Thiadiazole

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Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

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Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.03784206
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	142.03784206
Rotatable Bond Count:	2
Topological Polar Surface Area:	76.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0