2-Phenyloxazol-5(4H)-one - CAS 1199-01-5

Catalog:	BB004680
Product Name:	2-Phenyloxazol-5(4H)-one
CAS:	1199-01-5
Synonyms:	2-phenyl-4H-oxazol-5-one; 2-phenyl-4H-1,3-oxazol-5-one

Technical Data

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Computed Properties

IUPAC Name:	2-phenyl-4H-1,3-oxazol-5-one
Description:	2-Phenyloxazol-5(4H)-one (CAS# 1199-01-5 ) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C9H7NO2
Canonical SMILES:	C1C(=O)OC(=N1)C2=CC=CC=C2
InChI:	InChI=1S/C9H7NO2/c11-8-6-10-9(12-8)7-4-2-1-3-5-7/h1-5H,6H2
InChI Key:	QKCKCXFWENOGER-UHFFFAOYSA-N
Boiling Point:	248.1 °C at 760 mmHg
Density:	1.25 g/cm³
Solubility:	Soluble in most common organic solvents.
Appearance:	Orange powder
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00014517
LogP:	0.42560

Publication Number	Title	Priority Date
US-2021101886-A1	Il-17a modulators and uses thereof	20190916
WO-2021055376-A1	Il-17a modulators and uses thereof	20190916
US-2020247785-A1	IL-17 Ligands And Uses Thereof	20190206
WO-2020163554-A1	Il-17a modulators and uses thereof	20190206
CN-109320554-B	Novel method for synthesizing practical acetaminoacrylate compound	20181023

PMID	Publication Date	Title	Journal
22531925	20120401	Immunoglobulin class switching appears to be regulated by B-cell antigen receptor-specific T-cell action	European journal of immunology
22057654	20120101	Immunization induces activation of bone marrow eosinophils required for plasma cell survival	European journal of immunology
22140260	20120101	Recruitment of a distinct but related set of VH sequences into the murine CD21hi/CD23- marginal zone B cell repertoire to that seen in the class-switched antibody response	Journal of immunology (Baltimore, Md. : 1950)
22102720	20111215	Is there a typical germinal center? A large-scale immunohistological study on the cellular composition of germinal centers during the hapten-carrier-driven primary immune response in mice	Journal of immunology (Baltimore, Md. : 1950)
22096568	20110101	Construction and characterization of single-chain variable fragment antibody library derived from germline rearranged immunoglobulin variable genes	PloS one

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	217
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:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4