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

C18H22N6O3 — CID 75131120

IUPAC5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCOc1ncccc1-c1noc(C2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C18H22N6O3/c1-25-10-11-26-17-13(4-2-6-21-17)16-22-18(27-23-16)14-5-3-9-24(14)12-15-19-7-8-20-15/h2,4,6-8,14H,3,5,9-12H2,1H3,(H,19,20)
InChIKeyFUQSJYHDKRYKEM-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.22
Rot. Bonds8

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

5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 75131120) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID75131120
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC Name5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCOc1ncccc1-c1noc(C2CCCN2Cc2ncc[nH]2)n1
InChIInChI=1S/C18H22N6O3/c1-25-10-11-26-17-13(4-2-6-21-17)16-22-18(27-23-16)14-5-3-9-24(14)12-15-19-7-8-20-15/h2,4,6-8,14H,3,5,9-12H2,1H3,(H,19,20)
InChIKeyFUQSJYHDKRYKEM-UHFFFAOYSA-N
XLogP2.22
TPSA102.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
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-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131106
5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131108
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 75131153
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-[(2R)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 95230095
3-[5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 75131080
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
N-(2-methoxyethyl)-3-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 75131071
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162861370

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole (CID 75131120) is 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole is COCCOc1ncccc1-c1noc(C2CCCN2Cc2ncc[nH]2)n1.
What is the InChIKey of 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is FUQSJYHDKRYKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-25-10-11-26-17-13(4-2-6-21-17)16-22-18(27-23-16)14-5-3-9-24(14)12-15-19-7-8-20-15/h2,4,6-8,14H,3,5,9-12H2,1H3,(H,19,20).
What are the key properties of 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
5-[1-(1H-imidazol-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 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 75131120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).