3-(4-Nitrophenyl)-1,2,5-oxadiazole - CAS 58749-72-7

Catalog:	BB030149
Product Name:	3-(4-Nitrophenyl)-1,2,5-oxadiazole
CAS:	58749-72-7
Synonyms:	3-(4-nitrophenyl)-1,2,5-oxadiazole; 3-(4-nitrophenyl)-1,2,5-oxadiazole

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Computed Properties

IUPAC Name:	3-(4-nitrophenyl)-1,2,5-oxadiazole
Description:	3-(4-Nitrophenyl)-1,2,5-oxadiazole (CAS# 58749-72-7 ) is a useful research chemical.
Molecular Weight:	191.14
Molecular Formula:	C8H5N3O3
Canonical SMILES:	C1=CC(=CC=C1C2=NON=C2)[N+](=O)[O-]
InChI:	InChI=1S/C8H5N3O3/c12-11(13)7-3-1-6(2-4-7)8-5-9-14-10-8/h1-5H
InChI Key:	XIPJDGNMENQNRS-UHFFFAOYSA-N
LogP:	2.16800

Publication Number	Title	Priority Date
EP-2729806-A1	Uses of labeled hsp90 inhibitors	20110708
EP-2729806-B1	Uses of labeled hsp90 inhibitors	20110708
EP-3208615-A2	Uses of labeled hsp90 inhibitors	20110708
EP-3208615-B1	Uses of labeled hsp90 inhibitors	20110708
US-2014242602-A1	Uses of labeled hsp90 inhibitors	20110708

PMID	Publication Date	Title	Journal
22888494	20121007	Development of a pH-activatable fluorescent probe and its application for visualizing cellular pH change	The Analyst
21802945	20110915	Synthesis of purine-scaffold fluorescent probes for heat shock protein 90 with use in flow cytometry and fluorescence microscopy	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Oxadiazole/Thiadiazole

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Ethyl 3-(1-(4-chloro-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-(1-(4-methyl-1H-pyrazol-1-yl)propan-2-yl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-(2-(3-cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
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Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate

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Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.03309103
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.03309103
Rotatable Bond Count:	1
Topological Polar Surface Area:	84.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2