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Key Documents

230138

Sigma-Aldrich

Oxazole

98%

Synonym(s):

1,3-Oxazole, 3-Azafuran

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About This Item

Empirical Formula (Hill Notation):
C3H3NO
CAS Number:
Molecular Weight:
69.06
Beilstein:
103851
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Quality Level

Assay

98%

refractive index

n20/D 1.425 (lit.)

bp

69-70 °C (lit.)

mp

−87-−84 °C (lit.)

density

1.05 g/mL at 25 °C (lit.)

SMILES string

c1cocn1

InChI

1S/C3H3NO/c1-2-5-3-4-1/h1-3H

InChI key

ZCQWOFVYLHDMMC-UHFFFAOYSA-N

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General description

Oxazole is the parent molecule for a large class of heterocyclic aromatic compounds. It is a weak base that can be used as an electron-deficient diene in the Diels-Alder cycloaddition reaction. It undergoes nitration, sulfonation, halogenation, Friedel-Crafts alkylation, and acylation.

Pictograms

FlameCorrosion

Signal Word

Danger

Hazard Statements

Precautionary Statements

Hazard Classifications

Eye Dam. 1 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

66.2 °F - closed cup

Flash Point(C)

19 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Maryna V Kachaeva et al.
Computational biology and chemistry, 74, 294-303 (2018-04-27)
Based on modern literature data about biological activity of E7010 derivatives, a series of new sulfonamides as potential anticancer drugs were rationally designed by QSAR modeling methods Сlassification learning QSAR models to predict the tubulin polymerization inhibition activity of novel
Haseen Ahmad et al.
European journal of medicinal chemistry, 208, 112759-112759 (2020-09-05)
Oxazole derivatives are important medicinal compounds which are inhibitors of various enzymes such as NPP1, NPP2, NPP3, tyrosine kinase, dipeptidyl-peptidase IV, cyclooxygenase-2, and protein tyrosine phosphatase. In this study, an extensive range of new biologically active biphenyl oxazole derivatives was
Dawid Siodłak et al.
The journal of physical chemistry. B, 118(9), 2340-2350 (2014-02-18)
Oxazole ring occurs in numerous natural peptides, but conformational properties of the amino acid residue containing the oxazole ring in place of the C-terminal amide bond are poorly recognized. A series of model compounds constituted by the oxazole-amino acids occurring
Ilya Lyagin et al.
Molecules (Basel, Switzerland), 24(13) (2019-06-30)
Mycotoxins are highly dangerous natural compounds produced by various fungi. Enzymatic transformation seems to be the most promising method for detoxification of mycotoxins. This review summarizes current information on enzymes of different classes to convert various mycotoxins. An in-depth analysis
Kristjan Bloudoff et al.
Proceedings of the National Academy of Sciences of the United States of America, 114(1), 95-100 (2016-12-21)
Nonribosomal peptide synthetases (NRPSs) are a family of multidomain, multimodule enzymes that synthesize structurally and functionally diverse peptides, many of which are of great therapeutic or commercial value. The central chemical step of peptide synthesis is amide bond formation, which

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