4-(5-Oxazolyl)benzonitrile - CAS 87150-13-8

Catalog:	BB038303
Product Name:	4-(5-Oxazolyl)benzonitrile
CAS:	87150-13-8
Synonyms:	4-(5-oxazolyl)benzonitrile; 4-(1,3-oxazol-5-yl)benzonitrile

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Computed Properties

IUPAC Name:	4-(1,3-oxazol-5-yl)benzonitrile
Description:	4-(5-Oxazolyl)benzonitrile (CAS# 87150-13-8) is a useful research chemical.
Molecular Weight:	170.17
Molecular Formula:	C10H6N2O
Canonical SMILES:	C1=CC(=CC=C1C#N)C2=CN=CO2
InChI:	InChI=1S/C10H6N2O/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H
InChI Key:	LZMCNLOQTURTHS-UHFFFAOYSA-N
Boiling Point:	344.2 °C at 760 mmHg
Density:	1.25 g/cm³
MDL:	MFCD00084987
LogP:	2.21328

Publication Number	Title	Priority Date
AU-2018306606-A1	Compounds and methods for the targeted degradation of Androgen Receptor	20170728
CA-3069544-A1	Compounds and methods for the targeted degradation of androgen receptor	20170728
CN-111212835-A	Compounds and methods for targeted degradation of androgen receptors	20170728
EP-3658548-A1	Compounds and methods for the targeted degradation of androgen receptor	20170728
KR-20200035435-A	Compounds and methods for targeted decomposition of androgen receptors	20170728

PMID	Publication Date	Title	Journal
17191806	20041101	The pheromone production of female Plodia interpunctella is inhibited by tyraminergic antagonists	Chemistry & biodiversity

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Complexity:	212
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.048012819
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	170.048012819
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7