Basic information
- CAS
121929-20-2- Standard SMILES
CC(c1noc2ccc(Cl)cc12)n1ccnc1- InChIKey
QMKRARTVXMQOBW-UHFFFAOYSA-N- Molecular formula
- C12H10ClN3O
- Average molar mass
- 247.68 g/mol
- Monoisotopic mass
- 247.0512396
Overview
structure given in first source
Names & identifiers
- Preferred name
- Zoniclezole
- IUPAC
- 5-chloro-3-(1-imidazol-1-ylethyl)-1,2-benzoxazole
- English name
- Zoniclezole
- Molecular formula
- C12H10ClN3O
- Molecular weight
- 247.684
Names & synonyms
Zoniclezole121929-20-2zoniclezolH1C5F0K79EDTXSID208696711,2-Benzisoxazole, 5-chloro-3-(1-(1H-imidazol-1-yl)ethyl)-5-chloro-3-(1-(1H-imidazol-1-yl)ethyl)-1,2-benzisoxazolezoniclezolumRefChem:196234DTXCID40817619Zoniclezole [INN]5-chloro-3-(1-imidazol-1-ylethyl)-1,2-benzoxazole
Show more names
5-Chloro-3-(1-imidazol-1-ylethyl)-1,2-benzisoxazoleUNII-H1C5F0K79ESCHEMBL1404104CHEMBL21111505-chloro-3-[1-(1H-imidazol-1-yl)ethyl]-1,2-benzoxazoleNS00124709Q27279500
Database identifiers
- CAS
121929-20-2- PubChem CID
- 60745
- DTXSID
DTXSID20869671- ChEMBL
CHEMBL2111150- UNII
- H1C5F0K79E
- Nikkaji
- J561.803G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- FDA UNII
- 1 C5F0K79E · H1C5F0K79E
Chemistry & industry
Applications
UsesAnticonvulsant.
Upstream & downstream products
Upstream raw materials
Suppliers1 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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