1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone

C21H21N3O3 — CID 121096632

IUPAC1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)Cc3cccc(C)c3)C2)n1
InChIInChI=1S/C21H21N3O3/c1-14-6-5-7-15(10-14)11-19(25)24-12-16(13-24)21-22-20(23-27-21)17-8-3-4-9-18(17)26-2/h3-10,16H,11-13H2,1-2H3
InChIKeyHWGXEMDNMOMFRX-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.22
Rot. Bonds5

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

1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 121096632) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID121096632
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)Cc3cccc(C)c3)C2)n1
InChIInChI=1S/C21H21N3O3/c1-14-6-5-7-15(10-14)11-19(25)24-12-16(13-24)21-22-20(23-27-21)17-8-3-4-9-18(17)26-2/h3-10,16H,11-13H2,1-2H3
InChIKeyHWGXEMDNMOMFRX-UHFFFAOYSA-N
XLogP3.22
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121096693
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-phenylethanone
CID 121096625
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide
CID 121096864
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121096620
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-3,3-diphenylpropan-1-one
CID 121096639
2-cyclopentylsulfanyl-1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121096476
cyclopropyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096534
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-naphthalen-2-ylmethanone
CID 121096601
[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 121096569
(3,4-dimethoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096564
(4-methoxyphenyl)-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096558
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone (CID 121096632) is 1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone is COc1ccccc1-c1noc(C2CN(C(=O)Cc3cccc(C)c3)C2)n1.
What is the InChIKey of 1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is HWGXEMDNMOMFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-6-5-7-15(10-14)11-19(25)24-12-16(13-24)21-22-20(23-27-21)17-8-3-4-9-18(17)26-2/h3-10,16H,11-13H2,1-2H3.
What are the key properties of 1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 363.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 121096632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).