3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole

C12H21N3O2 — CID 55060763

IUPAC3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(COCC2CCCCN2)no1
InChIInChI=1S/C12H21N3O2/c1-9(2)12-14-11(15-17-12)8-16-7-10-5-3-4-6-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyIYTMFQTZSPPIPI-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.85
Rot. Bonds5

About 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole

3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 55060763) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID55060763
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(COCC2CCCCN2)no1
InChIInChI=1S/C12H21N3O2/c1-9(2)12-14-11(15-17-12)8-16-7-10-5-3-4-6-13-10/h9-10,13H,3-8H2,1-2H3
InChIKeyIYTMFQTZSPPIPI-UHFFFAOYSA-N
XLogP1.85
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole (CID 55060763) is 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(COCC2CCCCN2)no1.
What is the InChIKey of 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is IYTMFQTZSPPIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(2)12-14-11(15-17-12)8-16-7-10-5-3-4-6-13-10/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 239.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-2-ylmethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 55060763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).