2-(tert-Butyl)-1,3,4-oxadiazole - CAS 251540-53-1
Catalog: |
BB018763 |
Product Name: |
2-(tert-Butyl)-1,3,4-oxadiazole |
CAS: |
251540-53-1 |
Synonyms: |
2-tert-butyl-1,3,4-oxadiazole; 2-tert-butyl-1,3,4-oxadiazole |
IUPAC Name: | 2-tert-butyl-1,3,4-oxadiazole |
Description: | 2-(tert-Butyl)-1,3,4-oxadiazole (CAS# 251540-53-1) is an intermediate used to prepare orally active nonpeptidic inhibitors of human neutrophil elastase. It is also used in the synthesis of Oxadiazolyl ketones as potent DPPIV inhibitors. |
Molecular Weight: | 126.16 |
Molecular Formula: | C6H10N2O |
Canonical SMILES: | CC(C)(C)C1=NN=CO1 |
InChI: | InChI=1S/C6H10N2O/c1-6(2,3)5-8-7-4-9-5/h4H,1-3H3 |
InChI Key: | SETCKKFZFOFBSI-UHFFFAOYSA-N |
Boiling Point: | 168.4 °C at 760 mmHg |
Density: | 1.006 g/cm3 |
Appearance: | Clear colorless liquid |
LogP: | 1.36710 |
Publication Number | Title | Priority Date |
US-2021292320-A1 | Functionalized heterocyclic compounds as antiviral agents | 20200316 |
US-2021107889-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
WO-2021070090-A1 | 2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
WO-2021070091-A1 | 5-oxa-2-azaspiro[3.4]octane derivatives as m4 agonists | 20191009 |
US-2021079014-A1 | Functionalized heterocycles as antiviral agents | 20190917 |
PMID | Publication Date | Title | Journal |
12893291 | 20030815 | Novel inhibitor for prolyl aminopeptidase from Serratia marcescens and studies on the mechanism of substrate recognition of the enzyme using the inhibitor | Archives of biochemistry and biophysics |
Complexity: | 97.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 126.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 126.079312947 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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