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

C10H17N3O2 — CID 104911942

IUPAC3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOC(C)c1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C10H17N3O2/c1-7(14-2)9-12-10(15-13-9)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyZGPGQMUPAPJGMP-BRFYHDHCSA-N
MW211.26 g/mol
LogP1.24
Rot. Bonds3

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

3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 104911942) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
PubChem CID104911942
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
SMILESCOC(C)c1noc([C@@H]2CCCNC2)n1
InChIInChI=1S/C10H17N3O2/c1-7(14-2)9-12-10(15-13-9)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3/t7?,8-/m1/s1
InChIKeyZGPGQMUPAPJGMP-BRFYHDHCSA-N
XLogP1.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911843
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-[cyclohexyl(ethoxy)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116743600
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-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3-ethyl-5-piperidin-3-yl-1,2,4-oxadiazole
CID 19886311
3-(3-methoxypentan-3-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116741192
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole (CID 104911942) is 3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is COC(C)c1noc([C@@H]2CCCNC2)n1.
What is the InChIKey of 3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZGPGQMUPAPJGMP-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(14-2)9-12-10(15-13-9)8-4-3-5-11-6-8/h7-8,11H,3-6H2,1-2H3/t7?,8-/m1/s1.
What are the key properties of 3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole?
3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 211.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104911942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).