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

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

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

Technical Data

Patents

Literatures

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

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Related Functional Groups

Oxadiazole/Thiadiazole

[881476-28-4]C14H11F3N4O3
Ethyl 3-{[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl}-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
[91393-16-7]C12H12N2O3
Ethyl 3-(4-methylphenyl)-1,2,4-oxadiazole-5-carboxylate
[96898-36-1]C11H9N3O5
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[4970-53-0]C5H7N3O3
Ethyl 5-amino-1,3,4-oxadiazole-2-carboxylate

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

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