5-(4-Nitrophenyl)oxazole - CAS 1014-23-9

Catalog:	BB000508
Product Name:	5-(4-Nitrophenyl)oxazole
CAS:	1014-23-9
Synonyms:	5-(4-nitrophenyl)oxazole; 5-(4-nitrophenyl)-1,3-oxazole

Technical Data

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Computed Properties

IUPAC Name:	5-(4-nitrophenyl)-1,3-oxazole
Description:	5-(4-Nitrophenyl)oxazole (CAS# 1014-23-9) is a useful research chemical.
Molecular Weight:	190.16
Molecular Formula:	C9H6N2O3
Canonical SMILES:	C1=CC(=CC=C1C2=CN=CO2)[N+](=O)[O-]
InChI:	InChI=1S/C9H6N2O3/c12-11(13)8-3-1-7(2-4-8)9-5-10-6-14-9/h1-6H
InChI Key:	JJFHVOMPLSSUEC-UHFFFAOYSA-N
Boiling Point:	352.6 °C at 760 mmHg
Density:	1.333 g/cm³
LogP:	2.77300

Publication Number	Title	Priority Date
WO-2018191146-A1	Heteroaryl rheb inhibitors and uses thereof	20170410
US-2021238165-A1	Heteroaryl rheb inhibitors and uses thereof	20170410
WO-2018186365-A1	Read-through inducing agent and pharmaceutical application thereof	20170403
JP-2020100564-A	Lead-through inducer and its pharmaceutical use	20170403
AU-2014242971-B2	Substituted oxopyridine derivatives and use thereof in the treatment of cardiovascular disorders	20130328

PMID	Publication Date	Title	Journal
31753802	20200101	Design, synthesis and biological evaluation of imidazole and oxazole fragments as HIV-1 integrase-LEDGF/p75 disruptors and inhibitors of microbial pathogens	Bioorganic & medicinal chemistry

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Related Functional Groups

Oxazole/Thiazole

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N-Methyl-5-phenyl-3-isoxazolemethanamine hydrochloride
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Ethyl 2-[(4-acetylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501
Signal Word:	Danger

Complexity:	209
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.03784206
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.03784206
Rotatable Bond Count:	1
Topological Polar Surface Area:	71.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8