3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

C11H19N3O2 — CID 104911843

IUPAC3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOC(C)c1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C11H19N3O2/c1-3-15-8(2)10-13-11(16-14-10)9-5-4-6-12-7-9/h8-9,12H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyUGOCORJQLGWZPJ-YGPZHTELSA-N
MW225.29 g/mol
LogP1.63
Rot. Bonds4

About 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole

3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104911843) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104911843
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCCOC(C)c1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C11H19N3O2/c1-3-15-8(2)10-13-11(16-14-10)9-5-4-6-12-7-9/h8-9,12H,3-7H2,1-2H3/t8?,9-/m1/s1
InChIKeyUGOCORJQLGWZPJ-YGPZHTELSA-N
XLogP1.63
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911942
3-[cyclohexyl(ethoxy)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116743600
3-[cyclohexyl(ethoxy)methyl]-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912102
3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912103
3-(1-ethoxyethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832351
3-(1-ethoxyethyl)-5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 64539424
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(2-ethoxyethyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 106814721
3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912074
3-(1-methylsulfonylethyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 116632674
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116741192

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104911843) is 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is CCOC(C)c1noc([C@@H]2CCCNC2)n1.
What is the InChIKey of 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is UGOCORJQLGWZPJ-YGPZHTELSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-15-8(2)10-13-11(16-14-10)9-5-4-6-12-7-9/h8-9,12H,3-7H2,1-2H3/t8?,9-/m1/s1.
What are the key properties of 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104911843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).