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

C14H18N4O3 — CID 75131265

IUPAC3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCOCCOc1ccc(-c2noc(C3CCCN3)n2)cn1
InChIInChI=1S/C14H18N4O3/c1-19-7-8-20-12-5-4-10(9-16-12)13-17-14(21-18-13)11-3-2-6-15-11/h4-5,9,11,15H,2-3,6-8H2,1H3
InChIKeyIOXIQVDHSCXDHZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.58
Rot. Bonds6

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

3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 75131265) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID75131265
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCOCCOc1ccc(-c2noc(C3CCCN3)n2)cn1
InChIInChI=1S/C14H18N4O3/c1-19-7-8-20-12-5-4-10(9-16-12)13-17-14(21-18-13)11-3-2-6-15-11/h4-5,9,11,15H,2-3,6-8H2,1H3
InChIKeyIOXIQVDHSCXDHZ-UHFFFAOYSA-N
XLogP1.58
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-(6-cyclohexyloxy-3-pyridinyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163156955
5-[(2R)-azetidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 120841006
5-(1-cyclobutylpyrrolidin-2-yl)-3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131264
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 43627431
3-(4-ethylphenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole;hydrochloride
CID 119999990
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
3-(4-fluorophenyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 3998388
3-(3-bromo-4-methoxyphenyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 106950830
3-(4-ethylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43627432
1-[4-[2-[3-[6-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 75131231
3-(3,4-dimethoxyphenyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 93251332

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 75131265) is 3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole is COCCOc1ccc(-c2noc(C3CCCN3)n2)cn1.
What is the InChIKey of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is IOXIQVDHSCXDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-19-7-8-20-12-5-4-10(9-16-12)13-17-14(21-18-13)11-3-2-6-15-11/h4-5,9,11,15H,2-3,6-8H2,1H3.
What are the key properties of 3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 290.32 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 75131265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).