5-(3-Chlorophenyl)oxazole - CAS 89808-76-4

Catalog:	BB039608
Product Name:	5-(3-Chlorophenyl)oxazole
CAS:	89808-76-4
Synonyms:	5-(3-chlorophenyl)oxazole; 5-(3-chlorophenyl)-1,3-oxazole

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	5-(3-chlorophenyl)-1,3-oxazole
Description:	5-(3-Chlorophenyl)oxazole (CAS# 89808-76-4) is a useful research chemical.
Molecular Weight:	179.60
Molecular Formula:	C9H6ClNO
Canonical SMILES:	C1=CC(=CC(=C1)Cl)C2=CN=CO2
InChI:	InChI=1S/C9H6ClNO/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H
InChI Key:	NJVHPUNGYNOCQN-UHFFFAOYSA-N
Boiling Point:	274.7 °C at 760 mmHg
Density:	1.258 g/cm³
MDL:	MFCD00084974
LogP:	2.99500

Publication Number	Title	Priority Date
US-2021230153-A1	Aryl hydrocarbon receptor (ahr) agonists and uses thereof	20191220
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
KR-20200023370-A	Heterocyclylmethylidene Derivatives and Uses thereof as Modulators of mGluR5 Receptors	20170629
CN-110156770-A	Aminopyrazole derivatives as TAM race kinase inhibitor	20131127
US-10233176-B2	Aminopyridine derivatives as TAM family kinase inhibitors	20131127

PMID	Publication Date	Title	Journal
22145115	20111001	Study on cytochrome p-450 dependent retinoic Acid metabolism and its inhibitors as potential agents for cancer therapy	Scientia pharmaceutica

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Related Functional Groups

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:	179.0137915
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	179.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6