5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

C19H24N2O4S — CID 72912928

IUPAC5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(C2(c3nc(C4CCOC4)no3)CCCCC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-26(22,23)16-7-5-15(6-8-16)19(10-3-2-4-11-19)18-20-17(21-25-18)14-9-12-24-13-14/h5-8,14H,2-4,9-13H2,1H3
InChIKeyYBDJBEWXCYFSAU-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.23
Rot. Bonds4

About 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole

5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (PubChem CID 72912928) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
PubChem CID72912928
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(C2(c3nc(C4CCOC4)no3)CCCCC2)cc1
InChIInChI=1S/C19H24N2O4S/c1-26(22,23)16-7-5-15(6-8-16)19(10-3-2-4-11-19)18-20-17(21-25-18)14-9-12-24-13-14/h5-8,14H,2-4,9-13H2,1H3
InChIKeyYBDJBEWXCYFSAU-UHFFFAOYSA-N
XLogP3.23
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(oxolan-3-yl)-5-(1-phenylcyclopentyl)-1,2,4-oxadiazole
CID 72911854
5-[1-(4-chlorophenyl)cyclopropyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077853
5-(4-methylsulfonylphenyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97437627
5-[1-(3-fluorophenyl)cyclopentyl]-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97077225
5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 154738532
5-(3-methylpiperidin-3-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 65330606
3-cyclohexyl-5-(1-methylsulfonylcyclopentyl)-1,2,4-oxadiazole
CID 71980379
1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65332435
4-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65330157
5-(1,4-dimethylpiperidin-4-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97438471
3-(1-methylsulfonylpyrrolidin-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 119043574
4-[3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazol-5-yl]-N-propylbenzenesulfonamide
CID 97443354

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole (CID 72912928) is 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is CS(=O)(=O)c1ccc(C2(c3nc(C4CCOC4)no3)CCCCC2)cc1.
What is the InChIKey of 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
The InChIKey is YBDJBEWXCYFSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-26(22,23)16-7-5-15(6-8-16)19(10-3-2-4-11-19)18-20-17(21-25-18)14-9-12-24-13-14/h5-8,14H,2-4,9-13H2,1H3.
What are the key properties of 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole?
5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole has a molecular weight of 376.48 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylsulfonylphenyl)cyclohexyl]-3-(oxolan-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 72912928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).