3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole

C14H23N3O — CID 112754183

IUPAC3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(CC3CCC3)no2)C1
InChIInChI=1S/C14H23N3O/c1-2-10-6-7-15-12(8-10)14-16-13(17-18-14)9-11-4-3-5-11/h10-12,15H,2-9H2,1H3
InChIKeyZLRVETOQYAGKTR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.86
Rot. Bonds4

About 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole

3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 112754183) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID112754183
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(CC3CCC3)no2)C1
InChIInChI=1S/C14H23N3O/c1-2-10-6-7-15-12(8-10)14-16-13(17-18-14)9-11-4-3-5-11/h10-12,15H,2-9H2,1H3
InChIKeyZLRVETOQYAGKTR-UHFFFAOYSA-N
XLogP2.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylpiperidin-2-yl)-3-(oxan-2-ylmethyl)-1,2,4-oxadiazole
CID 114429992
5-[(2R)-azetidin-2-yl]-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 131042802
5-(4-ethylpiperidin-2-yl)-3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 114429886
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
5-(4-ethylpiperidin-2-yl)-3-(2,2,2-trifluoroethoxymethyl)-1,2,4-oxadiazole
CID 103472669
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637
5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 114429848
5-pyrrolidin-2-yl-3-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115080912
3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429842
5-[(2S)-piperidin-2-yl]-3-[(1-propylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 56722200
(3S,5R)-5-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104971482

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (CID 112754183) is 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is CCC1CCNC(c2nc(CC3CCC3)no2)C1.
What is the InChIKey of 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is ZLRVETOQYAGKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-10-6-7-15-12(8-10)14-16-13(17-18-14)9-11-4-3-5-11/h10-12,15H,2-9H2,1H3.
What are the key properties of 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 249.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 112754183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).