3-(4-Chlorophenyl)-5-{1-[(2-chlorophenyl)sulfonyl]-2-pyrrolidinyl}-1,2,4-oxadiazole
Basic information
- CAS
551930-99-5- Standard SMILES
O=S(=O)(c1ccccc1Cl)N1CCCC1c1nc(-c2ccc(Cl)cc2)no1- InChIKey
YVMZCXZPBPJQET-UHFFFAOYSA-N- Molecular formula
- C18H15Cl2N3O3S
- Average molar mass
- 424.3 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-{1-[(2-chlorophenyl)sulfonyl]-2-pyrrolidinyl}-1,2,4-oxadiazole
- IUPAC
- 3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
- English name
- 3-(4-Chlorophenyl)-5-(1-[(2-chlorophenyl)sulfonyl]-2-pyrrolidinyl)-1,2,4-oxadiazole
- Molecular formula
- C18H15Cl2N3O3S
- Molecular weight
- 424.3
Names & synonyms
551930-99-53-(4-chlorophenyl)-5-{1-[(2-chlorophenyl)sulfonyl]-2-pyrrolidinyl}-1,2,4-oxadiazole5-[1-(2-chlorobenzenesulfonyl)pyrrolidin-2-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole3-(4-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazoleSMR000168701Oprea1_174332MLS000331219CHEMBL1379721HMS2374B04AKOS0050938285P-661S3-(4-Chlorophenyl)-5-(1-[(2-chlorophenyl)sulfonyl]-2-pyrrolidinyl)-1,2,4-oxadiazole
Show more names
1,2,4-Oxadiazole, 3-(4-chlorophenyl)-5-[1-[(2-chlorophenyl)sulfonyl]-2-pyrrolidinyl]-
Database identifiers
- CAS
551930-99-5- ChEMBL
CHEMBL1379721
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 609
Physicochemical properties
- Boiling point
- 597.4 · 597.4±60.0 °C(Predicted)
- Density
- 1.464 · 1.464±0.06 g/cm3(Predicted)
- pka
- -1.33 · -1.33±0.44(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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