2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole

C13H21N3O3S — CID 128991904

IUPAC2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCCCC1c1nnc(C2CCC2)o1
InChIInChI=1S/C13H21N3O3S/c1-2-20(17,18)16-9-4-3-8-11(16)13-15-14-12(19-13)10-6-5-7-10/h10-11H,2-9H2,1H3
InChIKeyGRFFZXJYWJTHRQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.21
Rot. Bonds4

About 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole

2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole (PubChem CID 128991904) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
PubChem CID128991904
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCCCC1c1nnc(C2CCC2)o1
InChIInChI=1S/C13H21N3O3S/c1-2-20(17,18)16-9-4-3-8-11(16)13-15-14-12(19-13)10-6-5-7-10/h10-11H,2-9H2,1H3
InChIKeyGRFFZXJYWJTHRQ-UHFFFAOYSA-N
XLogP2.21
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethylsulfonylpiperidin-2-yl)-5-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
CID 110247239
2-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(2R)-1-ethylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 95805427
2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 136542510
2-[(2S)-1-(2-methylpropylsulfonyl)piperidin-2-yl]-5-[(2R)-oxolan-2-yl]-1,3,4-oxadiazole
CID 129346137
2-methyl-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 95841554
5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 56728159
2-methylsulfonyl-5-[(2S)-1-propylsulfonylpyrrolidin-2-yl]-1,3,4-oxadiazole
CID 11937565
2-[2-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanol
CID 154743934
2-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-[(2R)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 125020048
2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-[(2S)-1-methylsulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 124955056
2-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-(1-methylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 110247251
2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole
CID 124980247

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole (CID 128991904) is 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole is CCS(=O)(=O)N1CCCCC1c1nnc(C2CCC2)o1.
What is the InChIKey of 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole?
The InChIKey is GRFFZXJYWJTHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-20(17,18)16-9-4-3-8-11(16)13-15-14-12(19-13)10-6-5-7-10/h10-11H,2-9H2,1H3.
What are the key properties of 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole?
2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole has a molecular weight of 299.40 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 128991904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).