3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

C15H25N3O3 — CID 116742254

IUPAC3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(CC3CCNCC3)n2)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-20-15(5-9-19-10-6-15)14-17-13(21-18-14)11-12-3-7-16-8-4-12/h12,16H,2-11H2,1H3
InChIKeyBTASEQHKQUJIOM-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.65
Rot. Bonds5

About 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole

3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 116742254) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID116742254
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(CC3CCNCC3)n2)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-2-20-15(5-9-19-10-6-15)14-17-13(21-18-14)11-12-3-7-16-8-4-12/h12,16H,2-11H2,1H3
InChIKeyBTASEQHKQUJIOM-UHFFFAOYSA-N
XLogP1.65
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 116742254) is 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is CCOC1(c2noc(CC3CCNCC3)n2)CCOCC1.
What is the InChIKey of 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BTASEQHKQUJIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-2-20-15(5-9-19-10-6-15)14-17-13(21-18-14)11-12-3-7-16-8-4-12/h12,16H,2-11H2,1H3.
What are the key properties of 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 295.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyoxan-4-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 116742254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).