1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)

C96H84N12O14 — CID 175653207

IUPAC1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)
SMILESC1COCCO1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1
InChIInChI=1S/4C23H19N3O3.C4H8O2/c4*1-16-10-12-20(13-11-16)28-15-21(27)24-19-9-5-8-18(14-19)23-25-22(26-29-23)17-6-3-2-4-7-17;1-2-6-4-3-5-1/h4*2-14H,15H2,1H3,(H,24,27);1-4H2
InChIKeyYTAZVASTKBMXQO-UHFFFAOYSA-N
MW1629.80 g/mol
LogP18.95
Rot. Bonds24

About 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)

1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide) (PubChem CID 175653207) has the molecular formula C96H84N12O14 and a molecular weight of 1629.80 g/mol. Its IUPAC name is 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide).

Molecular Properties

Compound Name1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)
PubChem CID175653207
Molecular FormulaC96H84N12O14
Molecular Weight1629.80 g/mol
Exact Mass1628.62
IUPAC Name1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)
SMILESC1COCCO1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1
InChIInChI=1S/4C23H19N3O3.C4H8O2/c4*1-16-10-12-20(13-11-16)28-15-21(27)24-19-9-5-8-18(14-19)23-25-22(26-29-23)17-6-3-2-4-7-17;1-2-6-4-3-5-1/h4*2-14H,15H2,1H3,(H,24,27);1-4H2
InChIKeyYTAZVASTKBMXQO-UHFFFAOYSA-N
XLogP18.95
TPSA327.46 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001629.80
LogP ≤ 518.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

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Related Compounds

N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
N-(3-ethylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25237863
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032388
N-(3,4-dimethylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237785
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
CID 25238319
2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-pyridin-3-ylacetamide
CID 46266764
N-(3-acetamidophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 17443328
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)?
The IUPAC name of 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide) (CID 175653207) is 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide).
What is the SMILES notation for 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)?
The canonical SMILES for 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide) is C1COCCO1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.Cc1ccc(OCC(=O)Nc2cccc(-c3nc(-c4ccccc4)no3)c2)cc1.
What is the InChIKey of 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)?
The InChIKey is YTAZVASTKBMXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/4C23H19N3O3.C4H8O2/c4*1-16-10-12-20(13-11-16)28-15-21(27)24-19-9-5-8-18(14-19)23-25-22(26-29-23)17-6-3-2-4-7-17;1-2-6-4-3-5-1/h4*2-14H,15H2,1H3,(H,24,27);1-4H2.
What are the key properties of 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)?
1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide) has a molecular weight of 1629.80 g/mol, XLogP of 18.95, 24 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide) is sourced from PubChem (CID 175653207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).