5-(4-Bromophenyl)oxazole - CAS 72571-06-3

Catalog:	BB034653
Product Name:	5-(4-Bromophenyl)oxazole
CAS:	72571-06-3
Synonyms:	5-(4-bromophenyl)oxazole; 5-(4-bromophenyl)-1,3-oxazole

Technical Data

Patents

Computed Properties

IUPAC Name:	5-(4-bromophenyl)-1,3-oxazole
Description:	5-(4-Bromophenyl)oxazole (CAS# 72571-06-3) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC(=CC=C1C2=CN=CO2)Br
InChI:	InChI=1S/C9H6BrNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
InChI Key:	FEBCQOHEPVLTLY-UHFFFAOYSA-N
Boiling Point:	315.8 °C at 760 mmHg
Density:	1.524 g/cm³
Solubility:	2.2 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD02682015
LogP:	3.10410

Publication Number	Title	Priority Date
WO-2021012018-A1	Inhibitor compounds	20190724
US-2021078975-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409
EP-3573969-A1	Benzyloxypyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof	20170126
JP-2020514315-A	Benzyloxypyrazinyl cyclopropanecarboxylic acid, pharmaceutical composition and use thereof	20170126
US-10603317-B2	Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof	20170126

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Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.96328
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	222.96328
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7