Basic information
- CAS
11120-54-0- Standard SMILES
c1conn1- InChIKey
WCPAKWJPBJAGKN-UHFFFAOYSA-N- Molecular formula
- C2H2N2O
- Average molar mass
- 70.05 g/mol
- Monoisotopic mass
- 70.01671268
Overview
Compounds containing five-membered heteroaromatic rings containing two carbons, two nitrogens, and one oxygen atom which exist in various regioisomeric forms.
Names & identifiers
- Preferred name
- Oxadiazole
- IUPAC
- oxadiazole
Names & synonyms
11120-54-0DTXSID00436582RefChem:168776CHEBI:46685DTXCID20387406OxadiazoleOxadiazoles1,2,3-oxadiazoleoxadiazolracemic oxadiazoleSCHEMBL3006SCHEMBL7612
Show more names
SCHEMBL25166SCHEMBL216935SCHEMBL5149931WCPAKWJPBJAGKN-UHFFFAOYSA-N
Database identifiers
- CAS
11120-54-0- PubChem CID
- 10197612
- DTXSID
DTXSID00436582- ChEMBL
CHEMBL314737- Nikkaji
- J327.197H
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 30.8
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Related reactions
4 records
Compound notes
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