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

C15H18ClN3O — CID 114429842

IUPAC3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C15H18ClN3O/c1-2-10-7-8-17-13(9-10)15-18-14(19-20-15)11-3-5-12(16)6-4-11/h3-6,10,13,17H,2,7-9H2,1H3
InChIKeyGIQDTNZKSQKTIN-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.84
Rot. Bonds3

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

3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 114429842) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID114429842
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(-c3ccc(Cl)cc3)no2)C1
InChIInChI=1S/C15H18ClN3O/c1-2-10-7-8-17-13(9-10)15-18-14(19-20-15)11-3-5-12(16)6-4-11/h3-6,10,13,17H,2,7-9H2,1H3
InChIKeyGIQDTNZKSQKTIN-UHFFFAOYSA-N
XLogP3.84
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 114429848
5-(4-ethylpiperidin-2-yl)-3-(furan-3-yl)-1,2,4-oxadiazole
CID 114429916
5-(4-ethylpiperidin-2-yl)-3-thiophen-3-yl-1,2,4-oxadiazole
CID 114429878
5-(4-ethylpiperidin-2-yl)-3-(2-methylfuran-3-yl)-1,2,4-oxadiazole
CID 114429997
5-(4-ethylpiperidin-2-yl)-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 114429964
3-(3,4-difluorophenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424842
3-(2-bromo-5-fluorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107923388
3-(4-methoxyphenyl)-5-(4-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114424831
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-(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

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (CID 114429842) is 3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is CCC1CCNC(c2nc(-c3ccc(Cl)cc3)no2)C1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is GIQDTNZKSQKTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-10-7-8-17-13(9-10)15-18-14(19-20-15)11-3-5-12(16)6-4-11/h3-6,10,13,17H,2,7-9H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 291.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114429842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).