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

C24H21N3O4 — CID 46266536

IUPACN-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCOc1cccc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1
InChIInChI=1S/C24H21N3O4/c1-16-9-11-17(12-10-16)23-26-24(31-27-23)18-5-3-8-21(13-18)30-15-22(28)25-19-6-4-7-20(14-19)29-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyYXSZAOMDBZPDBY-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.74
Rot. Bonds7

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

N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (PubChem CID 46266536) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
PubChem CID46266536
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
SMILESCOc1cccc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1
InChIInChI=1S/C24H21N3O4/c1-16-9-11-17(12-10-16)23-26-24(31-27-23)18-5-3-8-21(13-18)30-15-22(28)25-19-6-4-7-20(14-19)29-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyYXSZAOMDBZPDBY-UHFFFAOYSA-N
XLogP4.74
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
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-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393
1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)
CID 175653207
2-[3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-(2-methylphenyl)acetamide
CID 45032483
N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439
N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032399
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
N-(3,4-dimethylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237785

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide (CID 46266536) is N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is COc1cccc(NC(=O)COc2cccc(-c3nc(-c4ccc(C)cc4)no3)c2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
The InChIKey is YXSZAOMDBZPDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-16-9-11-17(12-10-16)23-26-24(31-27-23)18-5-3-8-21(13-18)30-15-22(28)25-19-6-4-7-20(14-19)29-2/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide?
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide has a molecular weight of 415.45 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide is sourced from PubChem (CID 46266536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).