Basic information
- CAS
28923-80-0- Standard SMILES
CCCc1nnc(SCc2ccccc2Cl)o1- InChIKey
FHCUXGCMUASJQQ-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2OS
- Average molar mass
- 268.76 g/mol
- Monoisotopic mass
- 268.0437119
Names & identifiers
- Preferred name
- 2-(((2-Chlorophenyl)methyl)thio)-5-propyl-1,3,4-oxadiazole
- IUPAC
- 2-[(2-chlorophenyl)methylsulfanyl]-5-propyl-1,3,4-oxadiazole
Names & synonyms
28923-80-0Benoxazole2-(((2-Chlorophenyl)methyl)thio)-5-propyl-1,3,4-oxadiazoleSCHEMBL986605SCHEMBL29607949DTXSID309515511,3,4-Oxadiazole, 2-(((2-chlorophenyl)methyl)thio)-5-propyl-2-{[(2-CHLOROPHENYL)METHYL]SULFANYL}-5-PROPYL-1,3,4-OXADIAZOLE
Database identifiers
- CAS
28923-80-0- PubChem CID
- 189983
- DTXSID
DTXSID30951551- Nikkaji
- J3.183.495C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 64.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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