3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole

C15H25N3OS — CID 82905254

IUPAC3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESCCCC1CCC(c2noc(C3CSCCN3)n2)CC1
InChIInChI=1S/C15H25N3OS/c1-2-3-11-4-6-12(7-5-11)14-17-15(19-18-14)13-10-20-9-8-16-13/h11-13,16H,2-10H2,1H3
InChIKeyFURBSVPIEQFCJU-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.52
Rot. Bonds4

About 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole

3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (PubChem CID 82905254) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
PubChem CID82905254
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
SMILESCCCC1CCC(c2noc(C3CSCCN3)n2)CC1
InChIInChI=1S/C15H25N3OS/c1-2-3-11-4-6-12(7-5-11)14-17-15(19-18-14)13-10-20-9-8-16-13/h11-13,16H,2-10H2,1H3
InChIKeyFURBSVPIEQFCJU-UHFFFAOYSA-N
XLogP3.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4,4-dimethylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82905089
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65425392
5-(4-methoxypyrrolidin-2-yl)-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65424805
3-(5-thiomorpholin-3-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 82904778
5-thiomorpholin-3-yl-3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 82904776
3-(2-methoxybutan-2-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 116740470
5-thiomorpholin-3-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 82905084
5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413684
3-(2,3-dihydro-1H-inden-1-yl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole
CID 82902403
3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429862
3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429965
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65422874

Frequently Asked Questions

What is the IUPAC name of 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole (CID 82905254) is 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is CCCC1CCC(c2noc(C3CSCCN3)n2)CC1.
What is the InChIKey of 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
The InChIKey is FURBSVPIEQFCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-2-3-11-4-6-12(7-5-11)14-17-15(19-18-14)13-10-20-9-8-16-13/h11-13,16H,2-10H2,1H3.
What are the key properties of 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole?
3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole has a molecular weight of 295.45 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propylcyclohexyl)-5-thiomorpholin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 82905254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).