5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol

C22H26N4O5 — CID 162807774

IUPAC5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol
SMILESCOCCOc1ncccc1-c1noc([C@H]2CCCN2Cc2ccc(OC)cc2O)n1
InChIInChI=1S/C22H26N4O5/c1-28-11-12-30-21-17(5-3-9-23-21)20-24-22(31-25-20)18-6-4-10-26(18)14-15-7-8-16(29-2)13-19(15)27/h3,5,7-9,13,18,27H,4,6,10-12,14H2,1-2H3/t18-/m1/s1
InChIKeyHUKYGJOQZDRYLI-GOSISDBHSA-N
MW426.47 g/mol
LogP3.21
Rot. Bonds9

About 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol

5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol (PubChem CID 162807774) has the molecular formula C22H26N4O5 and a molecular weight of 426.47 g/mol. Its IUPAC name is 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol
PubChem CID162807774
Molecular FormulaC22H26N4O5
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol
SMILESCOCCOc1ncccc1-c1noc([C@H]2CCCN2Cc2ccc(OC)cc2O)n1
InChIInChI=1S/C22H26N4O5/c1-28-11-12-30-21-17(5-3-9-23-21)20-24-22(31-25-20)18-6-4-10-26(18)14-15-7-8-16(29-2)13-19(15)27/h3,5,7-9,13,18,27H,4,6,10-12,14H2,1-2H3/t18-/m1/s1
InChIKeyHUKYGJOQZDRYLI-GOSISDBHSA-N
XLogP3.21
TPSA102.97 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-(1H-indol-3-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131108
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-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazole
CID 75131120
3-[4-(2-methoxyethoxy)-2-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162933789
5-methoxy-2-[[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732084
3-[2-(2-methoxyethoxy)-4-pyridinyl]-5-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 75131050
5-[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162861370
4-methoxy-N-[5-[5-[(2S)-1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]benzamide
CID 51136892
3-[5-[1-(2,2-dimethylpropyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-N-(2-methoxyethyl)pyridin-2-amine
CID 75131080
[5-[[2-[3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 75131135
5-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162799085

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol (CID 162807774) is 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol is COCCOc1ncccc1-c1noc([C@H]2CCCN2Cc2ccc(OC)cc2O)n1.
What is the InChIKey of 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol?
The InChIKey is HUKYGJOQZDRYLI-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26N4O5/c1-28-11-12-30-21-17(5-3-9-23-21)20-24-22(31-25-20)18-6-4-10-26(18)14-15-7-8-16(29-2)13-19(15)27/h3,5,7-9,13,18,27H,4,6,10-12,14H2,1-2H3/t18-/m1/s1.
What are the key properties of 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol?
5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol has a molecular weight of 426.47 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[(2R)-2-[3-[2-(2-methoxyethoxy)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 162807774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).