2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone

C22H24N4O4 — CID 46956799

IUPAC2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCCOc1cc(C)ccc1OCC(=O)N1CCCC1c1nnc(-c2ccccn2)o1
InChIInChI=1S/C22H24N4O4/c1-3-28-19-13-15(2)9-10-18(19)29-14-20(27)26-12-6-8-17(26)22-25-24-21(30-22)16-7-4-5-11-23-16/h4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3
InChIKeyFKQTYSXGMDNRJN-UHFFFAOYSA-N
MW408.46 g/mol
LogP3.58
Rot. Bonds7

About 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone

2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone (PubChem CID 46956799) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
PubChem CID46956799
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
SMILESCCOc1cc(C)ccc1OCC(=O)N1CCCC1c1nnc(-c2ccccn2)o1
InChIInChI=1S/C22H24N4O4/c1-3-28-19-13-15(2)9-10-18(19)29-14-20(27)26-12-6-8-17(26)22-25-24-21(30-22)16-7-4-5-11-23-16/h4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3
InChIKeyFKQTYSXGMDNRJN-UHFFFAOYSA-N
XLogP3.58
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methylindol-1-yl)-1-[(2R)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124998375
2-(2-ethoxy-4-methylphenoxy)-1-[2-[2-methyl-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110218153
2-(3,4-dimethoxyphenyl)-1-[(3S)-3-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 95849787
2-[(3S)-1-[(4-methylphenyl)methyl]piperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 95849799
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 70782488
1-benzothiophen-3-yl-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 110224561
2-(2,4-dimethylphenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86920438
N'-[(2S)-1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carbonyl]pyridine-2-carbohydrazide;3,3-dimethyl-1-[(2S)-2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]pentane-1,2-dione
CID 157373955
2-(4-chloro-3-methylphenoxy)-1-[2-(5-isoquinolin-1-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110224604
2-(2-methoxy-4-methylphenoxy)-1-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 99782210
2-(2,4-dichlorophenoxy)-1-[(2R)-2-pyridin-2-ylpiperidin-1-yl]ethanone
CID 97127081
1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-ethoxyphenoxy)ethanone
CID 25405008

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone (CID 46956799) is 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone is CCOc1cc(C)ccc1OCC(=O)N1CCCC1c1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is FKQTYSXGMDNRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-3-28-19-13-15(2)9-10-18(19)29-14-20(27)26-12-6-8-17(26)22-25-24-21(30-22)16-7-4-5-11-23-16/h4-5,7,9-11,13,17H,3,6,8,12,14H2,1-2H3.
What are the key properties of 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone?
2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 408.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-4-methylphenoxy)-1-[2-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 46956799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).