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

C13H20N2O4S — CID 154738532

IUPAC5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)C1(c2nc(C3CCOCC3)no2)CCCC1
InChIInChI=1S/C13H20N2O4S/c1-20(16,17)13(6-2-3-7-13)12-14-11(15-19-12)10-4-8-18-9-5-10/h10H,2-9H2,1H3
InChIKeyUIMKYDPIIOTHSC-UHFFFAOYSA-N
MW300.38 g/mol
LogP1.78
Rot. Bonds3

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

5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole (PubChem CID 154738532) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
PubChem CID154738532
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)C1(c2nc(C3CCOCC3)no2)CCCC1
InChIInChI=1S/C13H20N2O4S/c1-20(16,17)13(6-2-3-7-13)12-14-11(15-19-12)10-4-8-18-9-5-10/h10H,2-9H2,1H3
InChIKeyUIMKYDPIIOTHSC-UHFFFAOYSA-N
XLogP1.78
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole
CID 71980379
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214627
5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72912928
2-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 82763025
N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine
CID 154738881
5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 132972034
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606
ethyl 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79471725
5-[4-(2-methoxyethyl)piperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 138039510
3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
CID 72911854
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylcyclobutan-1-amine
CID 130591491

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole (CID 154738532) is 5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole is CS(=O)(=O)C1(c2nc(C3CCOCC3)no2)CCCC1.
What is the InChIKey of 5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is UIMKYDPIIOTHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-20(16,17)13(6-2-3-7-13)12-14-11(15-19-12)10-4-8-18-9-5-10/h10H,2-9H2,1H3.
What are the key properties of 5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 300.38 g/mol, XLogP of 1.78, 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-(oxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 154738532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).