5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole

C18H24N4O3 — CID 75131264

IUPAC5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCOc1ccc(-c2noc(C3CCCN3C3CCC3)n2)cn1
InChIInChI=1S/C18H24N4O3/c1-23-10-11-24-16-8-7-13(12-19-16)17-20-18(25-21-17)15-6-3-9-22(15)14-4-2-5-14/h7-8,12,14-15H,2-6,9-11H2,1H3
InChIKeyWZNQNPIUFAPVBX-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.85
Rot. Bonds7

About 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole

5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 75131264) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID75131264
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCOc1ccc(-c2noc(C3CCCN3C3CCC3)n2)cn1
InChIInChI=1S/C18H24N4O3/c1-23-10-11-24-16-8-7-13(12-19-16)17-20-18(25-21-17)15-6-3-9-22(15)14-4-2-5-14/h7-8,12,14-15H,2-6,9-11H2,1H3
InChIKeyWZNQNPIUFAPVBX-UHFFFAOYSA-N
XLogP2.85
TPSA73.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75131231
5-[(2R)-1-cyclobutylpyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 162799188
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163128524
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162799125
5-[5-[(2R)-1-cyclobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 162799203
N-hydroxy-4-[[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzeneamine oxide
CID 163159720
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 75131265
5-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 75131458
N-[5-[5-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 75131313
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
5-(1-cyclohexylpyrrolidin-2-yl)-3-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 75131350
3-(6-cyclohexyloxy-3-pyridinyl)-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131281

Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole (CID 75131264) is 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole is COCCOc1ccc(-c2noc(C3CCCN3C3CCC3)n2)cn1.
What is the InChIKey of 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is WZNQNPIUFAPVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-23-10-11-24-16-8-7-13(12-19-16)17-20-18(25-21-17)15-6-3-9-22(15)14-4-2-5-14/h7-8,12,14-15H,2-6,9-11H2,1H3.
What are the key properties of 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 344.42 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75131264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).