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

C13H15N3O3S — CID 139003541

IUPAC5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCS(=O)(=O)C1(c2nc(-c3ccncc3)no2)CCCC1
InChIInChI=1S/C13H15N3O3S/c1-20(17,18)13(6-2-3-7-13)12-15-11(16-19-12)10-4-8-14-9-5-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyWMBHQROMVQLANW-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.95
Rot. Bonds3

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

5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 139003541) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID139003541
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCS(=O)(=O)C1(c2nc(-c3ccncc3)no2)CCCC1
InChIInChI=1S/C13H15N3O3S/c1-20(17,18)13(6-2-3-7-13)12-15-11(16-19-12)10-4-8-14-9-5-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyWMBHQROMVQLANW-UHFFFAOYSA-N
XLogP1.95
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 139003541) is 5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole is CS(=O)(=O)C1(c2nc(-c3ccncc3)no2)CCCC1.
What is the InChIKey of 5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is WMBHQROMVQLANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-20(17,18)13(6-2-3-7-13)12-15-11(16-19-12)10-4-8-14-9-5-10/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 293.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylcyclopentyl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 139003541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).