3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

C18H25N3O2S — CID 95727245

IUPAC3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc([C@H]2CCCN(Cc3ccc(SC)cc3)C2)n1
InChIInChI=1S/C18H25N3O2S/c1-22-11-9-17-19-18(23-20-17)15-4-3-10-21(13-15)12-14-5-7-16(24-2)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3/t15-/m0/s1
InChIKeyCJIKFPJKBYSWPB-HNNXBMFYSA-N
MW347.48 g/mol
LogP3.36
Rot. Bonds7

About 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 95727245) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID95727245
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOCCc1noc([C@H]2CCCN(Cc3ccc(SC)cc3)C2)n1
InChIInChI=1S/C18H25N3O2S/c1-22-11-9-17-19-18(23-20-17)15-4-3-10-21(13-15)12-14-5-7-16(24-2)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3/t15-/m0/s1
InChIKeyCJIKFPJKBYSWPB-HNNXBMFYSA-N
XLogP3.36
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(2-methoxyethyl)-5-[(3R)-1-[(1-phenylpyrazol-4-yl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95708917
5-[(3R)-1-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124753139
1-[4-[[(3R)-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 124753151
5-[1-(1-benzofuran-2-ylmethyl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 77080892
5-[(3S)-1-[(3-ethyl-1H-1,2,4-triazol-5-yl)methyl]piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 124749327
5-[(3S)-1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 97435860
2-[[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
CID 91840830
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
3-methyl-5-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 122152728
[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(2-morpholin-4-ylphenyl)methanone
CID 131948357
1,3-benzodioxol-5-yl-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 70715745
4-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6,7,8-tetrahydroquinazolin-2-amine
CID 72856081

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole (CID 95727245) is 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is COCCc1noc([C@H]2CCCN(Cc3ccc(SC)cc3)C2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is CJIKFPJKBYSWPB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-22-11-9-17-19-18(23-20-17)15-4-3-10-21(13-15)12-14-5-7-16(24-2)8-6-14/h5-8,15H,3-4,9-13H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 347.48 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 95727245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).