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

C20H23N5O3 — CID 163164504

IUPAC3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOCCOc1ncccc1-c1noc([C@H]2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C20H23N5O3/c1-26-11-12-27-19-16(6-3-9-22-19)18-23-20(28-24-18)17-7-4-10-25(17)14-15-5-2-8-21-13-15/h2-3,5-6,8-9,13,17H,4,7,10-12,14H2,1H3/t17-/m1/s1
InChIKeySFDLPEIBRVEAQN-QGZVFWFLSA-N
MW381.44 g/mol
LogP2.89
Rot. Bonds8

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

3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 163164504) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID163164504
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOCCOc1ncccc1-c1noc([C@H]2CCCN2Cc2cccnc2)n1
InChIInChI=1S/C20H23N5O3/c1-26-11-12-27-19-16(6-3-9-22-19)18-23-20(28-24-18)17-7-4-10-25(17)14-15-5-2-8-21-13-15/h2-3,5-6,8-9,13,17H,4,7,10-12,14H2,1H3/t17-/m1/s1
InChIKeySFDLPEIBRVEAQN-QGZVFWFLSA-N
XLogP2.89
TPSA86.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.89
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-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131106
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131120
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
3-[6-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163128524
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
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 97071015
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
3-[5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 75131080
1-[4-[4-[5-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 75614823
N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 75131071

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 163164504) is 3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is COCCOc1ncccc1-c1noc([C@H]2CCCN2Cc2cccnc2)n1.
What is the InChIKey of 3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is SFDLPEIBRVEAQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-26-11-12-27-19-16(6-3-9-22-19)18-23-20(28-24-18)17-7-4-10-25(17)14-15-5-2-8-21-13-15/h2-3,5-6,8-9,13,17H,4,7,10-12,14H2,1H3/t17-/m1/s1.
What are the key properties of 3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 381.44 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 163164504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).