Basic information
- CAS
91587-75-6- Standard SMILES
NC(=O)OCc1nc(-c2ccc(Cl)cc2)no1- InChIKey
ZMJOIEJJOQLCNY-UHFFFAOYSA-N- Molecular formula
- C10H8ClN3O3
- Average molar mass
- 253.64 g/mol
- Monoisotopic mass
- 253.0254188
Names & identifiers
- Preferred name
- Carbamic acid, (3-(p-chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester
- IUPAC
- [3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl carbamate
Names & synonyms
AF 68791587-75-6BRN 0540478CARBAMIC ACID, (3-(p-CHLOROPHENYL)-1,2,4-OXADIAZOL-5-YL)METHYL ESTERDTXSID90238638(3-(p-Chlorophenyl)-1,2,4-oxadiazol-5-yl)methyl ester of carbamic acid1,2,4-Oxadiazole-5-methanol, 3-(p-chlorophenyl)-, carbamate (ester)RefChem:332021DTXCID40161129[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl carbamateSCHEMBL29758972
Database identifiers
- CAS
91587-75-6- PubChem CID
- 56274
- DTXSID
DTXSID90238638- Nikkaji
- J67.556C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 91.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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