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

C13H19N5O — CID 82895545

IUPAC5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3cncn3C)no2)CCNCC1
InChIInChI=1S/C13H19N5O/c1-3-13(4-6-14-7-5-13)12-16-11(17-19-12)10-8-15-9-18(10)2/h8-9,14H,3-7H2,1-2H3
InChIKeyPBPYASHLKKTVKI-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.50
Rot. Bonds3

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

5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole (PubChem CID 82895545) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole
PubChem CID82895545
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(-c3cncn3C)no2)CCNCC1
InChIInChI=1S/C13H19N5O/c1-3-13(4-6-14-7-5-13)12-16-11(17-19-12)10-8-15-9-18(10)2/h8-9,14H,3-7H2,1-2H3
InChIKeyPBPYASHLKKTVKI-UHFFFAOYSA-N
XLogP1.50
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole (CID 82895545) is 5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole is CCC1(c2nc(-c3cncn3C)no2)CCNCC1.
What is the InChIKey of 5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is PBPYASHLKKTVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-13(4-6-14-7-5-13)12-16-11(17-19-12)10-8-15-9-18(10)2/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole?
5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 261.33 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylpiperidin-4-yl)-3-(3-methylimidazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 82895545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).