5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole

C12H21N3O2 — CID 62356494

IUPAC5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole
SMILESCCc1nc(COCCC2CCCNC2)no1
InChIInChI=1S/C12H21N3O2/c1-2-12-14-11(15-17-12)9-16-7-5-10-4-3-6-13-8-10/h10,13H,2-9H2,1H3
InChIKeyCOEGBNXQECVBKF-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.54
Rot. Bonds6

About 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole

5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole (PubChem CID 62356494) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole
PubChem CID62356494
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole
SMILESCCc1nc(COCCC2CCCNC2)no1
InChIInChI=1S/C12H21N3O2/c1-2-12-14-11(15-17-12)9-16-7-5-10-4-3-6-13-8-10/h10,13H,2-9H2,1H3
InChIKeyCOEGBNXQECVBKF-UHFFFAOYSA-N
XLogP1.54
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole (CID 62356494) is 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole is CCc1nc(COCCC2CCCNC2)no1.
What is the InChIKey of 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is COEGBNXQECVBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-12-14-11(15-17-12)9-16-7-5-10-4-3-6-13-8-10/h10,13H,2-9H2,1H3.
What are the key properties of 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole?
5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 239.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62356494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).