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

C12H13N3O3 — CID 47119130

IUPACN-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCNC(=O)COc1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C12H13N3O3/c1-8-14-12(15-18-8)9-3-5-10(6-4-9)17-7-11(16)13-2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyCAZZHRIXAVEHEK-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.17
Rot. Bonds4

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

N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (PubChem CID 47119130) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
PubChem CID47119130
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC NameN-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCNC(=O)COc1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C12H13N3O3/c1-8-14-12(15-18-8)9-3-5-10(6-4-9)17-7-11(16)13-2/h3-6H,7H2,1-2H3,(H,13,16)
InChIKeyCAZZHRIXAVEHEK-UHFFFAOYSA-N
XLogP1.17
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 17443328
dimethyl 5-[[2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]amino]benzene-1,3-dicarboxylate
CID 55390871
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
N-(furan-2-ylmethyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208521
N-(3-fluoro-4-methylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208585
N-(5-chloro-2-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51323285
N-(2-methylcyclohexyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208597
N-(2-chloro-4-fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208532
N-methyl-2-[4-(4-methyl-1,3-thiazol-2-yl)phenoxy]acetamide
CID 9123257
3-(4-butoxyphenyl)-5-methyl-1,2,4-oxadiazole
CID 168997991
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] acetate
CID 154709033
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55390665

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The IUPAC name of N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (CID 47119130) is N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The canonical SMILES for N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is CNC(=O)COc1ccc(-c2noc(C)n2)cc1.
What is the InChIKey of N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The InChIKey is CAZZHRIXAVEHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-14-12(15-18-8)9-3-5-10(6-4-9)17-7-11(16)13-2/h3-6H,7H2,1-2H3,(H,13,16).
What are the key properties of N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide has a molecular weight of 247.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 47119130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).