3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide

C20H20N4O3 — CID 121096864

IUPAC3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)Nc3cccc(C)c3)C2)n1
InChIInChI=1S/C20H20N4O3/c1-13-6-5-7-15(10-13)21-20(25)24-11-14(12-24)19-22-18(23-27-19)16-8-3-4-9-17(16)26-2/h3-10,14H,11-12H2,1-2H3,(H,21,25)
InChIKeyYXEVPGHDJZVEHF-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.68
Rot. Bonds4

About 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide

3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide (PubChem CID 121096864) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide
PubChem CID121096864
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide
SMILESCOc1ccccc1-c1noc(C2CN(C(=O)Nc3cccc(C)c3)C2)n1
InChIInChI=1S/C20H20N4O3/c1-13-6-5-7-15(10-13)21-20(25)24-11-14(12-24)19-22-18(23-27-19)16-8-3-4-9-17(16)26-2/h3-10,14H,11-12H2,1-2H3,(H,21,25)
InChIKeyYXEVPGHDJZVEHF-UHFFFAOYSA-N
XLogP3.68
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(3-methylphenyl)ethanone
CID 121096632
N-(3-methylphenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxamide
CID 71784312
cyclopropyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096534
N-(3-methoxyphenyl)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 42760777
[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
N-(3-bromophenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 53039485
cyclohexyl-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]methanone
CID 121096536
(2S)-N-(3-chlorophenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057888
1-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121096620

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide (CID 121096864) is 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide is COc1ccccc1-c1noc(C2CN(C(=O)Nc3cccc(C)c3)C2)n1.
What is the InChIKey of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide?
The InChIKey is YXEVPGHDJZVEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-6-5-7-15(10-13)21-20(25)24-11-14(12-24)19-22-18(23-27-19)16-8-3-4-9-17(16)26-2/h3-10,14H,11-12H2,1-2H3,(H,21,25).
What are the key properties of 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide?
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 121096864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).