3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

C13H21N3O — CID 102780786

IUPAC3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC1c1nc(C2CCCCC2)no1
InChIInChI=1S/C13H21N3O/c1-9-7-8-14-11(9)13-15-12(16-17-13)10-5-3-2-4-6-10/h9-11,14H,2-8H2,1H3
InChIKeyLPLQUALUBAVECP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.79
Rot. Bonds2

About 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 102780786) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID102780786
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCC1CCNC1c1nc(C2CCCCC2)no1
InChIInChI=1S/C13H21N3O/c1-9-7-8-14-11(9)13-15-12(16-17-13)10-5-3-2-4-6-10/h9-11,14H,2-8H2,1H3
InChIKeyLPLQUALUBAVECP-UHFFFAOYSA-N
XLogP2.79
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclooctyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781089
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070948
3-cyclooctyl-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 80601836
3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070952
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylmorpholine
CID 122236512
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-cyclooctyl-1,2,4-oxadiazole
CID 102894768
3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429862
3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429965
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclopropyl-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79369015
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 102780786) is 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is CC1CCNC1c1nc(C2CCCCC2)no1.
What is the InChIKey of 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is LPLQUALUBAVECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-7-8-14-11(9)13-15-12(16-17-13)10-5-3-2-4-6-10/h9-11,14H,2-8H2,1H3.
What are the key properties of 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 102780786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).