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

C23H19N3O3 — CID 45032388

IUPAC2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
SMILESCc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4)c3)no2)c1
InChIInChI=1S/C23H19N3O3/c1-16-7-5-9-18(13-16)23-25-22(26-29-23)17-8-6-12-20(14-17)28-15-21(27)24-19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,24,27)
InChIKeyXPYZWYYOOJIHDA-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.73
Rot. Bonds6

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

2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide (PubChem CID 45032388) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide.

Molecular Properties

Compound Name2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
PubChem CID45032388
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
SMILESCc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4)c3)no2)c1
InChIInChI=1S/C23H19N3O3/c1-16-7-5-9-18(13-16)23-25-22(26-29-23)17-8-6-12-20(14-17)28-15-21(27)24-19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,24,27)
InChIKeyXPYZWYYOOJIHDA-UHFFFAOYSA-N
XLogP4.73
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
N-(3-methylphenyl)-2-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032399
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
2-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032408
2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 45032538
N-(4-fluorophenyl)-2-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032439
2-(3-methylphenoxy)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 20896070
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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The IUPAC name of 2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide (CID 45032388) is 2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide.
What is the SMILES notation for 2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The canonical SMILES for 2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide is Cc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4)c3)no2)c1.
What is the InChIKey of 2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
The InChIKey is XPYZWYYOOJIHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-16-7-5-9-18(13-16)23-25-22(26-29-23)17-8-6-12-20(14-17)28-15-21(27)24-19-10-3-2-4-11-19/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of 2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide?
2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide has a molecular weight of 385.42 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide is sourced from PubChem (CID 45032388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).