3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole

C14H22N2O3S — CID 71980379

IUPAC3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)C1(c2nc(C3CCCCC3)no2)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-20(17,18)14(9-5-6-10-14)13-15-12(16-19-13)11-7-3-2-4-8-11/h11H,2-10H2,1H3
InChIKeyCTHZUVOJKQHROJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.93
Rot. Bonds3

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

3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole (PubChem CID 71980379) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole
PubChem CID71980379
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)C1(c2nc(C3CCCCC3)no2)CCCC1
InChIInChI=1S/C14H22N2O3S/c1-20(17,18)14(9-5-6-10-14)13-15-12(16-19-13)11-7-3-2-4-8-11/h11H,2-10H2,1H3
InChIKeyCTHZUVOJKQHROJ-UHFFFAOYSA-N
XLogP2.93
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 154738532
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
N,N-dimethyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazol-3-amine
CID 154738881
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83209965
2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylcyclohexan-1-amine
CID 83213568
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067
3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylcyclobutan-1-amine
CID 130591491

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole (CID 71980379) is 3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole is CS(=O)(=O)C1(c2nc(C3CCCCC3)no2)CCCC1.
What is the InChIKey of 3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole?
The InChIKey is CTHZUVOJKQHROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-20(17,18)14(9-5-6-10-14)13-15-12(16-19-13)11-7-3-2-4-8-11/h11H,2-10H2,1H3.
What are the key properties of 3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole?
3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole has a molecular weight of 298.41 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71980379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).