5-(3-Bromophenyl)-1,3-oxazole - CAS 243455-57-4

Catalog:	BB018425
Product Name:	5-(3-Bromophenyl)-1,3-oxazole
CAS:	243455-57-4
Synonyms:	5-(3-bromophenyl)oxazole; 5-(3-bromophenyl)-1,3-oxazole

Technical Data

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Computed Properties

IUPAC Name:	5-(3-bromophenyl)-1,3-oxazole
Description:	5-(3-Bromophenyl)-1,3-oxazole (CAS# 243455-57-4) is a useful research chemical.
Molecular Weight:	224.05
Molecular Formula:	C9H6BrNO
Canonical SMILES:	C1=CC(=CC(=C1)Br)C2=CN=CO2
InChI:	InChI=1S/C9H6BrNO/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H
InChI Key:	GUYZQMXSOVOSIC-UHFFFAOYSA-N
Boiling Point:	303.9 °C at 760 mmHg
Melting Point:	57-61 °C
Purity:	95 %
Density:	1.524 g/cm³
MDL:	MFCD05668970
LogP:	3.10410

Publication Number	Title	Priority Date
US-2021078975-A1	Fused cyclic urea derivatives as crhr2 antagonist	20180409
EP-2908824-B1	Tricyclic substituted thiadiazine dioxide compounds as bace inhibitors, compositions, and their use	20121017
US-2015284379-A1	Tricyclic substituted thiadiazine dioxide compounds as bace inhibitors, compositions and their use	20121017
US-9416129-B2	Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use	20121017
AU-2012288900-A1	Selective protein kinase inhibitors	20110727

PMID	Publication Date	Title	Journal
22621803	20120901	A novel ring oxidation of 4- or 5-substituted 2H-oxazole to corresponding 2-oxazolone catalyzed by cytosolic aldehyde oxidase	Drug metabolism and disposition: the biological fate of chemicals

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Oxazole/Thiazole

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Complexity:	154
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