3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

C15H25N3OS — CID 65140310

IUPAC3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(CSC3CCCCC3)no2)CCNCC1
InChIInChI=1S/C15H25N3OS/c1-15(7-9-16-10-8-15)14-17-13(18-19-14)11-20-12-5-3-2-4-6-12/h12,16H,2-11H2,1H3
InChIKeyPABADEYAUXVFKW-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.28
Rot. Bonds4

About 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 65140310) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID65140310
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(CSC3CCCCC3)no2)CCNCC1
InChIInChI=1S/C15H25N3OS/c1-15(7-9-16-10-8-15)14-17-13(18-19-14)11-20-12-5-3-2-4-6-12/h12,16H,2-11H2,1H3
InChIKeyPABADEYAUXVFKW-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopentylsulfanylmethyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65141422
3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983407
3-(ethylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65130645
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperidin-3-ol
CID 106950241
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
CID 66250718
N,N-diethyl-2-[5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 63123708
5-(azetidin-3-yl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
CID 79316568
3-[(3-chlorophenyl)sulfanylmethyl]-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 66147845
5-(azetidin-3-ylmethyl)-3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazole
CID 65139664
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63123739
3-(cyclopentylsulfanylmethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911863

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 65140310) is 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1(c2nc(CSC3CCCCC3)no2)CCNCC1.
What is the InChIKey of 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is PABADEYAUXVFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-15(7-9-16-10-8-15)14-17-13(18-19-14)11-20-12-5-3-2-4-6-12/h12,16H,2-11H2,1H3.
What are the key properties of 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 295.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65140310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).