5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole

C17H23N3O4S — CID 50747609

IUPAC5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nc(CC)no1
InChIInChI=1S/C17H23N3O4S/c1-3-16-18-17(24-19-16)14-12-13(8-9-15(14)23-4-2)25(21,22)20-10-6-5-7-11-20/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyNENUYTYQBCNJBA-UHFFFAOYSA-N
MW365.46 g/mol
LogP2.87
Rot. Bonds6

About 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole

5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole (PubChem CID 50747609) has the molecular formula C17H23N3O4S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole
PubChem CID50747609
Molecular FormulaC17H23N3O4S
Molecular Weight365.46 g/mol
Exact Mass365.14
IUPAC Name5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nc(CC)no1
InChIInChI=1S/C17H23N3O4S/c1-3-16-18-17(24-19-16)14-12-13(8-9-15(14)23-4-2)25(21,22)20-10-6-5-7-11-20/h8-9,12H,3-7,10-11H2,1-2H3
InChIKeyNENUYTYQBCNJBA-UHFFFAOYSA-N
XLogP2.87
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120866066
2-(2-ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole
CID 90937483
1-(3-tert-butyl-4-ethoxyphenyl)sulfonylpyrrolidine
CID 9266602
1-(3-ethoxy-4-fluorophenyl)sulfonylazepane
CID 935230
1-[5-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868499
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
5-[5-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methoxyphenyl]-3-propyl-1,2,4-oxadiazole
CID 50747574
N-[5-(azepan-1-ylsulfonyl)-2-ethoxyphenyl]acetamide
CID 6458874
4-ethoxy-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)benzenesulfonyl chloride
CID 43866414
1-[5-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860179
5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 32873847
4-[4-(4-ethoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-2-methyl-6-piperidin-1-ylpyrimidine
CID 122340750

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole (CID 50747609) is 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole is CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1-c1nc(CC)no1.
What is the InChIKey of 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole?
The InChIKey is NENUYTYQBCNJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O4S/c1-3-16-18-17(24-19-16)14-12-13(8-9-15(14)23-4-2)25(21,22)20-10-6-5-7-11-20/h8-9,12H,3-7,10-11H2,1-2H3.
What are the key properties of 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole?
5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole has a molecular weight of 365.46 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethoxy-5-piperidin-1-ylsulfonylphenyl)-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 50747609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).