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

C15H25N3O3 — CID 116742298

IUPAC3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3(C)CCCCN3)n2)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-20-15(7-10-19-11-8-15)12-17-13(21-18-12)14(2)6-4-5-9-16-14/h16H,3-11H2,1-2H3
InChIKeyIDUFQBLKIWNREG-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.10
Rot. Bonds4

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

3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 116742298) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID116742298
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCOC1(c2noc(C3(C)CCCCN3)n2)CCOCC1
InChIInChI=1S/C15H25N3O3/c1-3-20-15(7-10-19-11-8-15)12-17-13(21-18-12)14(2)6-4-5-9-16-14/h16H,3-11H2,1-2H3
InChIKeyIDUFQBLKIWNREG-UHFFFAOYSA-N
XLogP2.10
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.10
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-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 116742298) is 3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is CCOC1(c2noc(C3(C)CCCCN3)n2)CCOCC1.
What is the InChIKey of 3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is IDUFQBLKIWNREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-3-20-15(7-10-19-11-8-15)12-17-13(21-18-12)14(2)6-4-5-9-16-14/h16H,3-11H2,1-2H3.
What are the key properties of 3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 295.38 g/mol, XLogP of 2.10, 4 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-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 116742298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).