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

C12H21N3O3S — CID 56728159

IUPAC5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCS(=O)(=O)N1CCCCC1c1nc(C(C)C)no1
InChIInChI=1S/C12H21N3O3S/c1-4-19(16,17)15-8-6-5-7-10(15)12-13-11(9(2)3)14-18-12/h9-10H,4-8H2,1-3H3
InChIKeyJWRTUYDUYSDBEM-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.07
Rot. Bonds4

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

5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 56728159) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID56728159
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole
SMILESCCS(=O)(=O)N1CCCCC1c1nc(C(C)C)no1
InChIInChI=1S/C12H21N3O3S/c1-4-19(16,17)15-8-6-5-7-10(15)12-13-11(9(2)3)14-18-12/h9-10H,4-8H2,1-3H3
InChIKeyJWRTUYDUYSDBEM-UHFFFAOYSA-N
XLogP2.07
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-methylsulfonylpyrrolidin-2-yl]-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 131930930
2-cyclobutyl-5-(1-ethylsulfonylpiperidin-2-yl)-1,3,4-oxadiazole
CID 128991904
1-[5-(1-propylsulfonylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855240
2-[4-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 97145776
5-[(2S)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131900470
1-[(2S)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(1-propylpiperidin-4-yl)ethanone
CID 97199347
4-piperidin-1-yl-1-[(2R)-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 97197902
5-[(2S)-1-[4-(1,2-oxazol-5-yl)thiophen-2-yl]sulfonylpyrrolidin-2-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 131904930
5-(1-cyclopropylsulfonylazetidin-3-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 121098870
N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline
CID 53191881
2-(methylamino)-1-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 56862607
N-cyclopentyl-2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 70772545

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole (CID 56728159) is 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole is CCS(=O)(=O)N1CCCCC1c1nc(C(C)C)no1.
What is the InChIKey of 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is JWRTUYDUYSDBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-19(16,17)15-8-6-5-7-10(15)12-13-11(9(2)3)14-18-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole?
5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 287.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylsulfonylpiperidin-2-yl)-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 56728159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).