3-(5-Oxazolyl)aniline - CAS 157837-31-5

Catalog:	BB011359
Product Name:	3-(5-Oxazolyl)aniline
CAS:	157837-31-5
Synonyms:	3-(5-oxazolyl)aniline; 3-(1,3-oxazol-5-yl)aniline

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Computed Properties

IUPAC Name:	3-(1,3-oxazol-5-yl)aniline
Description:	3-(5-Oxazolyl)aniline (CAS# 157837-31-5) is a useful research chemical.
Molecular Weight:	160.17
Molecular Formula:	C9H8N2O
Canonical SMILES:	C1=CC(=CC(=C1)N)C2=CN=CO2
InChI:	InChI=1S/C9H8N2O/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,10H2
InChI Key:	AIELNJDAOGTASK-UHFFFAOYSA-N
Boiling Point:	359.1 °C at 760 mmHg
Density:	1.204 g/cm³
MDL:	MFCD00052191
LogP:	2.50500

Publication Number	Title	Priority Date
US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
CN-111825605-A	Aryl ketone amide compound and preparation method and application thereof	20190419
US-2019111042-A1	Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR-Inhibitors	20171013
US-2020207764-A1	Dihydrobenzimidazolones for medical treatment	20170904

PMID	Publication Date	Title	Journal
24673130	20140424	Discovery of selective 4-Amino-pyridopyrimidine inhibitors of MAP4K4 using fragment-based lead identification and optimization	Journal of medicinal chemistry

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GHS Hazard Statement:	H301 (92.68%): 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:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.063662883
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	160.063662883
Rotatable Bond Count:	1
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3