4-(5-Oxazolyl)phenol - CAS 1128-71-8

Catalog:	BB003064
Product Name:	4-(5-Oxazolyl)phenol
CAS:	1128-71-8
Synonyms:	4-(5-oxazolyl)phenol; 4-(1,3-oxazol-5-yl)phenol

Technical Data

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Computed Properties

IUPAC Name:	4-(1,3-oxazol-5-yl)phenol
Description:	4-(5-Oxazolyl)phenol (CAS# 1128-71-8) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C9H7NO2
Canonical SMILES:	C1=CC(=CC=C1C2=CN=CO2)O
InChI:	InChI=1S/C9H7NO2/c11-8-3-1-7(2-4-8)9-5-10-6-12-9/h1-6,11H
InChI Key:	DKJOJWMIGCSJKJ-UHFFFAOYSA-N
Boiling Point:	317.6 °C at 760 mmHg
Density:	1.247 g/cm³
Storage:	Sealed in dry, 2-8 °C
LogP:	2.04720

Publication Number	Title	Priority Date
TW-201341380-A	Sulfonamide derivative and use thereof	20120405
EP-2694472-A2	Sulfonamide derivative and use thereof	20110405
EP-2694472-B1	Sulfonamide derivative and use thereof	20110405
JP-2014523851-A	Sulfonamide derivatives and uses thereof	20110405
JP-5976011-B2	Sulfonamide derivatives and uses thereof	20110405

PMID	Publication Date	Title	Journal
21613975	20110525	Synthesis, characterization, and antimicrobial evaluation of oxadiazole congeners	Molecules (Basel, Switzerland)
15986379	20050701	Responses of the silkworm tyramine receptor to 2-phenylethylamines and 5-phenyloxazoles	Archives of insect biochemistry and physiology
12489130	20030101	Positive and negative modulation of Bombyx mori adenylate cyclase by 5-phenyloxazoles: identification of octopamine and tyramine receptor agonists	Archives of insect biochemistry and physiology

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Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.047678466
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	46.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6