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

C19H22N4O4 — CID 75131106

IUPAC5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCOc1ncccc1-c1noc(C2CCCN2Cc2ccco2)n1
InChIInChI=1S/C19H22N4O4/c1-24-11-12-26-18-15(6-2-8-20-18)17-21-19(27-22-17)16-7-3-9-23(16)13-14-5-4-10-25-14/h2,4-6,8,10,16H,3,7,9,11-13H2,1H3
InChIKeySGOLIFYWXMODOM-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.09
Rot. Bonds8

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

5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 75131106) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID75131106
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCOc1ncccc1-c1noc(C2CCCN2Cc2ccco2)n1
InChIInChI=1S/C19H22N4O4/c1-24-11-12-26-18-15(6-2-8-20-18)17-21-19(27-22-17)16-7-3-9-23(16)13-14-5-4-10-25-14/h2,4-6,8,10,16H,3,7,9,11-13H2,1H3
InChIKeySGOLIFYWXMODOM-UHFFFAOYSA-N
XLogP3.09
TPSA86.65 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.09
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

3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163164504
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131120
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162861370
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131108
5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol
CID 162807774
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
3-[5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 75131080
3-[4-(2-methoxyethoxy)-2-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162933789
3-[2-(2-methoxyethoxy)-4-pyridinyl]-5-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131050
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163128524
[5-[[2-[3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 75131135
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162799125

Frequently Asked Questions

What is the IUPAC name of 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole (CID 75131106) is 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole is COCCOc1ncccc1-c1noc(C2CCCN2Cc2ccco2)n1.
What is the InChIKey of 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is SGOLIFYWXMODOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-24-11-12-26-18-15(6-2-8-20-18)17-21-19(27-22-17)16-7-3-9-23(16)13-14-5-4-10-25-14/h2,4-6,8,10,16H,3,7,9,11-13H2,1H3.
What are the key properties of 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 370.41 g/mol, XLogP of 3.09, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75131106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).