5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole

C15H26N2O4S — CID 154778922

IUPAC5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole
SMILESCCC(OC1CCCCC1)c1nc(CCS(=O)(=O)CC)no1
InChIInChI=1S/C15H26N2O4S/c1-3-13(20-12-8-6-5-7-9-12)15-16-14(17-21-15)10-11-22(18,19)4-2/h12-13H,3-11H2,1-2H3
InChIKeyHPZKJRSLDJTWBM-UHFFFAOYSA-N
MW330.45 g/mol
LogP2.85
Rot. Bonds8

About 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole

5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole (PubChem CID 154778922) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole
PubChem CID154778922
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Name5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole
SMILESCCC(OC1CCCCC1)c1nc(CCS(=O)(=O)CC)no1
InChIInChI=1S/C15H26N2O4S/c1-3-13(20-12-8-6-5-7-9-12)15-16-14(17-21-15)10-11-22(18,19)4-2/h12-13H,3-11H2,1-2H3
InChIKeyHPZKJRSLDJTWBM-UHFFFAOYSA-N
XLogP2.85
TPSA82.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylacetamide
CID 138027331
1-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120862319
4-[5-(1-cyclohexyloxypropyl)-1,2,4-oxadiazol-3-yl]-1H-pyrimidin-6-one
CID 136561345
[4-[5-(1-cyclopentyloxypropyl)-1,2,4-oxadiazol-3-yl]phenyl]methanamine
CID 120892639
N-[[5-[(1R)-1-cycloheptyloxyethyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 97226046
N-[4-[3-(2-ethylsulfonylethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]pyrazin-2-amine
CID 167940569
2-[1-(3-butyl-1,2,4-oxadiazol-5-yl)ethylsulfonyl]-N-cyclohexyl-N-ethylacetamide
CID 86989654
1-[5-(1-cycloheptyloxyethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859247
N-methyl-1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 62473448
2-cycloheptyloxy-N-methylbutan-1-amine
CID 62460220
2-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65222042
1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743615

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole (CID 154778922) is 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole is CCC(OC1CCCCC1)c1nc(CCS(=O)(=O)CC)no1.
What is the InChIKey of 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole?
The InChIKey is HPZKJRSLDJTWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-3-13(20-12-8-6-5-7-9-12)15-16-14(17-21-15)10-11-22(18,19)4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole?
5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole has a molecular weight of 330.45 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclohexyloxypropyl)-3-(2-ethylsulfonylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154778922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).