3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole

C15H19N3O3S — CID 56860358

IUPAC3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1noc(-c2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C15H19N3O3S/c1-22(19,20)11-14-16-15(21-17-14)12-5-7-13(8-6-12)18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3
InChIKeyQYBGZUGIVBNZOR-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.27
Rot. Bonds4

About 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole

3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (PubChem CID 56860358) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
PubChem CID56860358
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)Cc1noc(-c2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C15H19N3O3S/c1-22(19,20)11-14-16-15(21-17-14)12-5-7-13(8-6-12)18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3
InChIKeyQYBGZUGIVBNZOR-UHFFFAOYSA-N
XLogP2.27
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole (CID 56860358) is 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is CS(=O)(=O)Cc1noc(-c2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
The InChIKey is QYBGZUGIVBNZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-22(19,20)11-14-16-15(21-17-14)12-5-7-13(8-6-12)18-9-3-2-4-10-18/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole?
3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole has a molecular weight of 321.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethyl)-5-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 56860358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).