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

C19H22N4O4 — CID 162861370

IUPAC5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCOc1ccnc(-c2noc([C@H]3CCCN3Cc3ccco3)n2)c1
InChIInChI=1S/C19H22N4O4/c1-24-10-11-26-14-6-7-20-16(12-14)18-21-19(27-22-18)17-5-2-8-23(17)13-15-4-3-9-25-15/h3-4,6-7,9,12,17H,2,5,8,10-11,13H2,1H3/t17-/m1/s1
InChIKeyDBLATLOKZLDRKN-QGZVFWFLSA-N
MW370.41 g/mol
LogP3.09
Rot. Bonds8

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

5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole (PubChem CID 162861370) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
PubChem CID162861370
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
SMILESCOCCOc1ccnc(-c2noc([C@H]3CCCN3Cc3ccco3)n2)c1
InChIInChI=1S/C19H22N4O4/c1-24-10-11-26-14-6-7-20-16(12-14)18-21-19(27-22-18)17-5-2-8-23(17)13-15-4-3-9-25-15/h3-4,6-7,9,12,17H,2,5,8,10-11,13H2,1H3/t17-/m1/s1
InChIKeyDBLATLOKZLDRKN-QGZVFWFLSA-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

[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-[4-(2-methoxyethoxy)-2-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162933789
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 75131153
5-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162799085
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131106
3-[4-(2-methoxyethoxy)-2-pyridinyl]-5-[(2R)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163060423
5-[1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazole
CID 75131386
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
3-[2-(2-methoxyethoxy)-3-pyridinyl]-5-[(2R)-1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163164504
5-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-4-pyridinyl]-1,2,4-oxadiazole
CID 162873515
5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol
CID 162807774

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole (CID 162861370) is 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole is COCCOc1ccnc(-c2noc([C@H]3CCCN3Cc3ccco3)n2)c1.
What is the InChIKey of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is DBLATLOKZLDRKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-24-10-11-26-14-6-7-20-16(12-14)18-21-19(27-22-18)17-5-2-8-23(17)13-15-4-3-9-25-15/h3-4,6-7,9,12,17H,2,5,8,10-11,13H2,1H3/t17-/m1/s1.
What are the key properties of 5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole?
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-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-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 162861370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).