5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

C18H17BrN4O3S — CID 50799537

IUPAC5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC(c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C18H17BrN4O3S/c19-15-5-7-16(8-6-15)27(24,25)23-10-2-4-14(12-23)18-21-17(22-26-18)13-3-1-9-20-11-13/h1,3,5-9,11,14H,2,4,10,12H2
InChIKeyUWLABKGOTGECSX-UHFFFAOYSA-N
MW449.33 g/mol
LogP3.46
Rot. Bonds4

About 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole

5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 50799537) has the molecular formula C18H17BrN4O3S and a molecular weight of 449.33 g/mol. Its IUPAC name is 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID50799537
Molecular FormulaC18H17BrN4O3S
Molecular Weight449.33 g/mol
Exact Mass448.02
IUPAC Name5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(Br)cc1)N1CCCC(c2nc(-c3cccnc3)no2)C1
InChIInChI=1S/C18H17BrN4O3S/c19-15-5-7-16(8-6-15)27(24,25)23-10-2-4-14(12-23)18-21-17(22-26-18)13-3-1-9-20-11-13/h1,3,5-9,11,14H,2,4,10,12H2
InChIKeyUWLABKGOTGECSX-UHFFFAOYSA-N
XLogP3.46
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 45498643
5-[(3S)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-fluorophenyl)-1,2,4-oxadiazole
CID 51613793
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 51613784
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(5-methylfuran-2-yl)-1,2,4-oxadiazole
CID 1457530
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
5-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 92751686
3-(2-bromophenyl)-5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 45498888
5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92751718
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole (CID 50799537) is 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is O=S(=O)(c1ccc(Br)cc1)N1CCCC(c2nc(-c3cccnc3)no2)C1.
What is the InChIKey of 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is UWLABKGOTGECSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O3S/c19-15-5-7-16(8-6-15)27(24,25)23-10-2-4-14(12-23)18-21-17(22-26-18)13-3-1-9-20-11-13/h1,3,5-9,11,14H,2,4,10,12H2.
What are the key properties of 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole?
5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 449.33 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 50799537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).