2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone

C15H23N3O4S — CID 127623329

IUPAC2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CS(=O)(=O)Cc1noc(C2CCCCC2)n1)N1CCCC1
InChIInChI=1S/C15H23N3O4S/c19-14(18-8-4-5-9-18)11-23(20,21)10-13-16-15(22-17-13)12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyURGMXYPBPFVLJT-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.65
Rot. Bonds5

About 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone

2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone (PubChem CID 127623329) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone
PubChem CID127623329
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone
SMILESO=C(CS(=O)(=O)Cc1noc(C2CCCCC2)n1)N1CCCC1
InChIInChI=1S/C15H23N3O4S/c19-14(18-8-4-5-9-18)11-23(20,21)10-13-16-15(22-17-13)12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyURGMXYPBPFVLJT-UHFFFAOYSA-N
XLogP1.65
TPSA93.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-5-cyclobutyl-1,2,4-oxadiazole
CID 146140847
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azocane-1-carboxamide
CID 122568554
5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
1-(2-methylpiperidin-1-yl)-2-[(5-propyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]ethanone
CID 60584458
2-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)-N-methylacetamide
CID 71970446
(3R)-3-N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 97193869
2-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 53192022
N-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]-1-(cyclopentanecarbonyl)piperidine-4-carboxamide
CID 72899381
1-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]-2,6-dimethylpiperidine-4-carboxylic acid
CID 136555542
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 51080769
2-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methylsulfonyl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 127814234
5-cyclohexyl-3-[(3,4-difluorophenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 146130162

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone (CID 127623329) is 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone is O=C(CS(=O)(=O)Cc1noc(C2CCCCC2)n1)N1CCCC1.
What is the InChIKey of 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone?
The InChIKey is URGMXYPBPFVLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c19-14(18-8-4-5-9-18)11-23(20,21)10-13-16-15(22-17-13)12-6-2-1-3-7-12/h12H,1-11H2.
What are the key properties of 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone?
2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone has a molecular weight of 341.43 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 127623329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).