2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

C20H20N4O3 — CID 110225003

IUPAC2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCC2c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-26-16-7-5-14(6-8-16)12-18(25)24-11-9-17(24)20-22-19(23-27-20)15-4-3-10-21-13-15/h3-8,10,13,17H,2,9,11-12H2,1H3
InChIKeySSQAJPQDUSMFOC-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.05
Rot. Bonds6

About 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone

2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (PubChem CID 110225003) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
PubChem CID110225003
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
SMILESCCOc1ccc(CC(=O)N2CCC2c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C20H20N4O3/c1-2-26-16-7-5-14(6-8-16)12-18(25)24-11-9-17(24)20-22-19(23-27-20)15-4-3-10-21-13-15/h3-8,10,13,17H,2,9,11-12H2,1H3
InChIKeySSQAJPQDUSMFOC-UHFFFAOYSA-N
XLogP3.05
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92595473
2-(4-fluorophenyl)-1-[(2S)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92570901
2-(3-methoxyphenyl)-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 92599228
2-(4-ethoxyphenyl)-1-[(2R)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]ethanone
CID 95057432
2-(4-methoxyphenyl)-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 125128716
phenyl-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 92573988
(5-propyl-1,2-oxazol-3-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 110225015
2-cyclopentyl-1-[(2R)-2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95110779
(3-propan-2-yl-1,2-oxazol-5-yl)-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]methanone
CID 110225014
1-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 75527839
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631
[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-thiophen-2-ylmethanone
CID 110225360

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone (CID 110225003) is 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is CCOc1ccc(CC(=O)N2CCC2c2nc(-c3cccnc3)no2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
The InChIKey is SSQAJPQDUSMFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-2-26-16-7-5-14(6-8-16)12-18(25)24-11-9-17(24)20-22-19(23-27-20)15-4-3-10-21-13-15/h3-8,10,13,17H,2,9,11-12H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone?
2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone has a molecular weight of 364.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone is sourced from PubChem (CID 110225003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).