5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole

C18H16BrN3O3S — CID 3930433

IUPAC5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16BrN3O3S/c19-14-8-10-15(11-9-14)26(23,24)22-12-4-7-16(22)18-20-17(21-25-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2
InChIKeyOSMWWNMFJONRAJ-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.02
Rot. Bonds4

About 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 3930433) has the molecular formula C18H16BrN3O3S and a molecular weight of 434.32 g/mol. Its IUPAC name is 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID3930433
Molecular FormulaC18H16BrN3O3S
Molecular Weight434.32 g/mol
Exact Mass433.01
IUPAC Name5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H16BrN3O3S/c19-14-8-10-15(11-9-14)26(23,24)22-12-4-7-16(22)18-20-17(21-25-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2
InChIKeyOSMWWNMFJONRAJ-UHFFFAOYSA-N
XLogP4.02
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromophenyl)-5-[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 5008973
3-phenyl-5-[(2S)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071699
5-[(2S)-1-(4-ethoxyphenyl)sulfonylpiperidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 52515333
5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8795196
3-(3-chlorophenyl)-5-[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206278
3-(3-methylphenyl)-5-[(2R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116774
5-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 95116778
5-[1-(3-chloro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53206219
(2R)-N,N-dimethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-sulfonamide
CID 124605898
3-(4-fluorophenyl)-5-[(2R)-1-(4-propylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93071732
3-(3-chlorophenyl)-5-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206284
3-(4-chlorophenyl)-5-[(2R)-1-(3-fluoro-4-methylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116737

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole (CID 3930433) is 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole is O=S(=O)(c1ccc(Br)cc1)N1CCCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is OSMWWNMFJONRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3S/c19-14-8-10-15(11-9-14)26(23,24)22-12-4-7-16(22)18-20-17(21-25-18)13-5-2-1-3-6-13/h1-3,5-6,8-11,16H,4,7,12H2.
What are the key properties of 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 434.32 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromophenyl)sulfonylpyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 3930433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).