Basic information
- CAS
478482-76-7- Standard SMILES
Ic1ccc(CSc2nnc(-c3ccncc3)o2)cc1- InChIKey
OJBAXTYEJCEQJH-UHFFFAOYSA-N- Molecular formula
- C14H10IN3OS
- Average molar mass
- 395.22 g/mol
- Monoisotopic mass
- 394.95893
Names & identifiers
- Preferred name
- 4-{5-[(4-Iodobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyridine
- IUPAC
- 2-[(4-iodophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
Names & synonyms
478482-76-74-{5-[(4-iodobenzyl)sulfanyl]-1,3,4-oxadiazol-2-yl}pyridine4-[5-[[(4-Iodophenyl)methyl]thio]-1,3,4-oxadiazol-2-yl]pyridineoxadiazole-pyridyl containing compound 13CHEMBL37652BDBM8553SCHEMBL5024078DTXSID7011750092-[(4-iodophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazoleSTK2929734-(5-{[(4-IODOPHENYL)METHYL]SULFANYL}-1,3,4-OXADIAZOL-2-YL)PYRIDINEAKOS000368369
Show more names
4-{5-[(4-iodobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine2-{[(4-iodophenyl)methyl]sulfanyl}-5-(pyridin-4-yl)-1,3,4-oxadiazole
Database identifiers
- CAS
478482-76-7- PubChem CID
- 6539733
- DTXSID
DTXSID701175009- ChEMBL
CHEMBL37652- Nikkaji
- J1.726.223H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 296
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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