5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

C15H25N3O5S — CID 132972034

IUPAC5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCCS(=O)(=O)N1CCC(OC)(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C15H25N3O5S/c1-3-24(19,20)18-8-6-15(21-2,7-9-18)14-16-13(17-23-14)12-4-10-22-11-5-12/h12H,3-11H2,1-2H3
InChIKeyNMOKCLOZGIUWQD-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.25
Rot. Bonds5

About 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole

5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole (PubChem CID 132972034) has the molecular formula C15H25N3O5S and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
PubChem CID132972034
Molecular FormulaC15H25N3O5S
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC Name5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole
SMILESCCS(=O)(=O)N1CCC(OC)(c2nc(C3CCOCC3)no2)CC1
InChIInChI=1S/C15H25N3O5S/c1-3-24(19,20)18-8-6-15(21-2,7-9-18)14-16-13(17-23-14)12-4-10-22-11-5-12/h12H,3-11H2,1-2H3
InChIKeyNMOKCLOZGIUWQD-UHFFFAOYSA-N
XLogP1.25
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(5-chloropyrimidin-2-yl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 128973617
N-(2-fluorophenyl)-2-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]acetamide
CID 128973592
1H-indol-2-yl-[4-methoxy-4-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 128973663
5-[1-(imidazo[1,2-a]pyridin-5-ylmethyl)-4-methoxypiperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 167790282
5-(1-methylsulfonylcyclopentyl)-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 154738532
ethyl 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79471725
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 128973649
[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-(1-ethyl-3-propan-2-ylpyrazol-5-yl)methanone
CID 128973645
3-chloro-2-[[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]methyl]benzoic acid
CID 136552279
3-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4-methoxypiperidin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 128973547
5-[4-(2-methoxyethyl)piperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 138039510
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole (CID 132972034) is 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole is CCS(=O)(=O)N1CCC(OC)(c2nc(C3CCOCC3)no2)CC1.
What is the InChIKey of 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
The InChIKey is NMOKCLOZGIUWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O5S/c1-3-24(19,20)18-8-6-15(21-2,7-9-18)14-16-13(17-23-14)12-4-10-22-11-5-12/h12H,3-11H2,1-2H3.
What are the key properties of 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole?
5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole has a molecular weight of 359.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylsulfonyl-4-methoxypiperidin-4-yl)-3-(oxan-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 132972034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).