1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

C21H29N5O4 — CID 75131231

IUPAC1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCOCCOc1ccc(-c2noc(C3CCCN3C3CCN(C(C)=O)CC3)n2)cn1
InChIInChI=1S/C21H29N5O4/c1-15(27)25-10-7-17(8-11-25)26-9-3-4-18(26)21-23-20(24-30-21)16-5-6-19(22-14-16)29-13-12-28-2/h5-6,14,17-18H,3-4,7-13H2,1-2H3
InChIKeyLZZXHVITSHDVHB-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.30
Rot. Bonds7

About 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone

1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 75131231) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
PubChem CID75131231
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
SMILESCOCCOc1ccc(-c2noc(C3CCCN3C3CCN(C(C)=O)CC3)n2)cn1
InChIInChI=1S/C21H29N5O4/c1-15(27)25-10-7-17(8-11-25)26-9-3-4-18(26)21-23-20(24-30-21)16-5-6-19(22-14-16)29-13-12-28-2/h5-6,14,17-18H,3-4,7-13H2,1-2H3
InChIKeyLZZXHVITSHDVHB-UHFFFAOYSA-N
XLogP2.30
TPSA93.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131264
N-[5-[5-[1-(1-acetylpiperidin-4-yl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]-2-methoxyacetamide
CID 75131313
1-[4-[(2S)-2-[3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 51136846
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163128524
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-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162799125
1-[4-[2-[3-[2-(4-acetylpiperazin-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75614802
N-hydroxy-4-[[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]benzeneamine oxide
CID 163159720
1-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 50970693
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 75131265
1-[4-[4-[5-(1-cyclohexylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614809
5-[5-[(2R)-1-cyclobutylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-methylpyridin-2-amine
CID 162799203

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone (CID 75131231) is 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone is COCCOc1ccc(-c2noc(C3CCCN3C3CCN(C(C)=O)CC3)n2)cn1.
What is the InChIKey of 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is LZZXHVITSHDVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-15(27)25-10-7-17(8-11-25)26-9-3-4-18(26)21-23-20(24-30-21)16-5-6-19(22-14-16)29-13-12-28-2/h5-6,14,17-18H,3-4,7-13H2,1-2H3.
What are the key properties of 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone?
1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 415.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 75131231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).