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

C11H19N3O2 — CID 62356316

IUPAC5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole
SMILESCc1nc(COCCC2CCCNC2)no1
InChIInChI=1S/C11H19N3O2/c1-9-13-11(14-16-9)8-15-6-4-10-3-2-5-12-7-10/h10,12H,2-8H2,1H3
InChIKeyUNLPQBHBMRYVMC-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.28
Rot. Bonds5

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

5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole (PubChem CID 62356316) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole
PubChem CID62356316
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole
SMILESCc1nc(COCCC2CCCNC2)no1
InChIInChI=1S/C11H19N3O2/c1-9-13-11(14-16-9)8-15-6-4-10-3-2-5-12-7-10/h10,12H,2-8H2,1H3
InChIKeyUNLPQBHBMRYVMC-UHFFFAOYSA-N
XLogP1.28
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.28
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-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole (CID 62356316) is 5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole is Cc1nc(COCCC2CCCNC2)no1.
What is the InChIKey of 5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is UNLPQBHBMRYVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-13-11(14-16-9)8-15-6-4-10-3-2-5-12-7-10/h10,12H,2-8H2,1H3.
What are the key properties of 5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole?
5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-piperidin-3-ylethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62356316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).