1,2,5-Oxadiazole
Grundinformationen
- CAS
288-37-9- Standard-SMILES
c1cnon1- InChIKey
JKFAIQOWCVVSKC-UHFFFAOYSA-N- Summenformel
- C2H2N2O
- Durchschnittliche Molmasse
- 70,05 g/mol
- Monoisotopische Masse
- 70,01671268
Namen und Bezeichner
- Bevorzugter Name
- 1,2,5-Oxadiazole
- IUPAC
- 1,2,5-oxadiazole
- Englischer Name
- 1,2,5-oxadiazole
- Summenformel
- C2H2N2O
- Molmasse
- 0
Namen und Synonyme
Furazan1,2,5-Oxadiazole2,5-Diazafuran63LL54U9WNNSC 111891NSC-111891DTXSID501829811,2,5-oxadiazolesRefChem:71569CHEBI:46815DTXCID90105472JKFAIQOWCVVSKC-UHFFFAOYSA-N
Weitere Namen anzeigen
furazane
Azoxazole288-37-91-Oxa-2,5-diazacyclopentadiene1,5-OxadiazoleSCHEMBL4800UNII-63LL54U9WNSCHEMBL15014SCHEMBL1373649
Datenbank-Bezeichner
- CAS
288-37-9- PubChem CID
- 67517
- DTXSID
DTXSID50182981- ChEMBL
CHEMBL2171711- UNII
- 63LL54U9WN
- Nikkaji
- J247.847A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 38,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 5
- Formalladung
- 0
- Komplexität
- 26,8
Experimentelle und physikochemische Eigenschaften
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP0.16
Chemie und Industrie
Anwendungen
Beschreibung1,2,5-Oxadiazole is a five-membered, heteroaromatic, planar heterocycle comprised of one oxygen atom with two vicinal nitrogen atoms (N-O-N) and two carbon atoms at the 3- and 4-positions of the ring. It is a π-excessive heterocycle also referred to by its trivial name furazan and corresponding 2-N-oxide as furoxan. The ionization energy of oxadiazole is 11.79 eV and the dipole moment is 3.38 D greater than isoxazole. The π electron density of the nitrogen atom is greater than the oxygen and carbon atoms as depicted in the following scheme.
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