3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole

C15H18N2O3S — CID 50844112

IUPAC3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole
SMILESO=S(=O)(CCc1noc(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C15H18N2O3S/c18-21(19,13-8-2-1-3-9-13)11-10-14-16-15(20-17-14)12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2
InChIKeyOQNMHJJHVOOEJQ-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.74
Rot. Bonds5

About 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole

3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole (PubChem CID 50844112) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole
PubChem CID50844112
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC Name3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole
SMILESO=S(=O)(CCc1noc(C2CCCC2)n1)c1ccccc1
InChIInChI=1S/C15H18N2O3S/c18-21(19,13-8-2-1-3-9-13)11-10-14-16-15(20-17-14)12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2
InChIKeyOQNMHJJHVOOEJQ-UHFFFAOYSA-N
XLogP2.74
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole (CID 50844112) is 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole is O=S(=O)(CCc1noc(C2CCCC2)n1)c1ccccc1.
What is the InChIKey of 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole?
The InChIKey is OQNMHJJHVOOEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c18-21(19,13-8-2-1-3-9-13)11-10-14-16-15(20-17-14)12-6-4-5-7-12/h1-3,8-9,12H,4-7,10-11H2.
What are the key properties of 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole?
3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole has a molecular weight of 306.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(benzenesulfonyl)ethyl]-5-cyclopentyl-1,2,4-oxadiazole is sourced from PubChem (CID 50844112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).