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

C14H19N3O2 — CID 114429997

IUPAC5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3ccoc3C)no2)C1
InChIInChI=1S/C14H19N3O2/c1-3-10-4-6-15-12(8-10)14-16-13(17-19-14)11-5-7-18-9(11)2/h5,7,10,12,15H,3-4,6,8H2,1-2H3
InChIKeyLLYKXMHVSAPCKR-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.09
Rot. Bonds3

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

5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole (PubChem CID 114429997) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
PubChem CID114429997
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3ccoc3C)no2)C1
InChIInChI=1S/C14H19N3O2/c1-3-10-4-6-15-12(8-10)14-16-13(17-19-14)11-5-7-18-9(11)2/h5,7,10,12,15H,3-4,6,8H2,1-2H3
InChIKeyLLYKXMHVSAPCKR-UHFFFAOYSA-N
XLogP3.09
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(azepan-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 113453222
5-(4-ethylpiperidin-2-yl)-3-(furan-3-yl)-1,2,4-oxadiazole
CID 114429916
5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 114429848
3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429842
3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107923388
5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114429878
5-(4-ethylpiperidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 114429964
3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429862
3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 112754183
3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429965
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 104790960
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 104788838

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole (CID 114429997) is 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole is CCC1CCNC(c2nc(-c3ccoc3C)no2)C1.
What is the InChIKey of 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
The InChIKey is LLYKXMHVSAPCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-10-4-6-15-12(8-10)14-16-13(17-19-14)11-5-7-18-9(11)2/h5,7,10,12,15H,3-4,6,8H2,1-2H3.
What are the key properties of 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole?
5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole has a molecular weight of 261.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114429997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).