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

C14H18N4O — CID 114429848

IUPAC5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C14H18N4O/c1-2-10-3-8-16-12(9-10)14-17-13(18-19-14)11-4-6-15-7-5-11/h4-7,10,12,16H,2-3,8-9H2,1H3
InChIKeyZSTFQTBRMANOGM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.58
Rot. Bonds3

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

5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 114429848) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID114429848
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3ccncc3)no2)C1
InChIInChI=1S/C14H18N4O/c1-2-10-3-8-16-12(9-10)14-17-13(18-19-14)11-4-6-15-7-5-11/h4-7,10,12,16H,2-3,8-9H2,1H3
InChIKeyZSTFQTBRMANOGM-UHFFFAOYSA-N
XLogP2.58
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429842
5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114429878
5-(4-ethylpiperidin-2-yl)-3-(furan-3-yl)-1,2,4-oxadiazole
CID 114429916
5-(4-ethylpiperidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 114429964
5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 114429997
3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107923388
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
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
4-ethyl-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)cyclopentane-1-carboxylic acid
CID 114512896
5-(4-ethylpiperidin-2-yl)-3-(oxan-2-ylmethyl)-1,2,4-oxadiazole
CID 114429992

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 114429848) is 5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCC1CCNC(c2nc(-c3ccncc3)no2)C1.
What is the InChIKey of 5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is ZSTFQTBRMANOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-2-10-3-8-16-12(9-10)14-17-13(18-19-14)11-4-6-15-7-5-11/h4-7,10,12,16H,2-3,8-9H2,1H3.
What are the key properties of 5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 258.32 g/mol, XLogP of 2.58, 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-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 114429848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).