3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole

C18H18N4O3S — CID 53075259

IUPAC3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2noc(-c3ccccn3)n2)cc1)N1CCCCC1
InChIInChI=1S/C18H18N4O3S/c23-26(24,22-12-4-1-5-13-22)15-9-7-14(8-10-15)17-20-18(25-21-17)16-6-2-3-11-19-16/h2-3,6-11H,1,4-5,12-13H2
InChIKeyUCYYGGMEBCFYSC-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.97
Rot. Bonds4

About 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole

3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 53075259) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID53075259
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
SMILESO=S(=O)(c1ccc(-c2noc(-c3ccccn3)n2)cc1)N1CCCCC1
InChIInChI=1S/C18H18N4O3S/c23-26(24,22-12-4-1-5-13-22)15-9-7-14(8-10-15)17-20-18(25-21-17)16-6-2-3-11-19-16/h2-3,6-11H,1,4-5,12-13H2
InChIKeyUCYYGGMEBCFYSC-UHFFFAOYSA-N
XLogP2.97
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methylphenyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075263
3-(4-pyrrolidin-1-ylsulfonylphenyl)-5-thiophen-2-yl-1,2,4-oxadiazole
CID 53075191
5-[(E)-2-(2-chlorophenyl)ethenyl]-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075248
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 53006809
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
piperidin-1-yl-[3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanone
CID 53031173
5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 92751621
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 46350395
5-(2-chlorophenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075353
6-(azepan-1-ylsulfonyl)-2-pyridin-2-ylquinoline-4-carboxylic acid
CID 3969586
5-[(4-methylphenyl)methyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075221
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 17354574

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole (CID 53075259) is 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole is O=S(=O)(c1ccc(-c2noc(-c3ccccn3)n2)cc1)N1CCCCC1.
What is the InChIKey of 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is UCYYGGMEBCFYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-26(24,22-12-4-1-5-13-22)15-9-7-14(8-10-15)17-20-18(25-21-17)16-6-2-3-11-19-16/h2-3,6-11H,1,4-5,12-13H2.
What are the key properties of 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole?
3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 370.43 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-1-ylsulfonylphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 53075259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).