5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole

C13H16N2O4S — CID 136536934

IUPAC5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(CCc1nc(-c2ccco2)no1)C1CCCC1
InChIInChI=1S/C13H16N2O4S/c16-20(17,10-4-1-2-5-10)9-7-12-14-13(15-19-12)11-6-3-8-18-11/h3,6,8,10H,1-2,4-5,7,9H2
InChIKeyQMQNHJQEDDZQRJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.23
Rot. Bonds5

About 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole

5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 136536934) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID136536934
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(CCc1nc(-c2ccco2)no1)C1CCCC1
InChIInChI=1S/C13H16N2O4S/c16-20(17,10-4-1-2-5-10)9-7-12-14-13(15-19-12)11-6-3-8-18-11/h3,6,8,10H,1-2,4-5,7,9H2
InChIKeyQMQNHJQEDDZQRJ-UHFFFAOYSA-N
XLogP2.23
TPSA86.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79193177
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 95573579
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
4-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 115340258
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
[(2R)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 62046188
2-[cyclopentyl-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]amino]ethanol
CID 62014677
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 43052577
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
methyl 1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 55554532
N-[(2-cyclopentyloxyphenyl)methyl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55810269

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole (CID 136536934) is 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole is O=S(=O)(CCc1nc(-c2ccco2)no1)C1CCCC1.
What is the InChIKey of 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is QMQNHJQEDDZQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c16-20(17,10-4-1-2-5-10)9-7-12-14-13(15-19-12)11-6-3-8-18-11/h3,6,8,10H,1-2,4-5,7,9H2.
What are the key properties of 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 296.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentylsulfonylethyl)-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 136536934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).