2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

C12H13N3O3 — CID 47235328

IUPAC2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc(C)no1
InChIInChI=1S/C12H13N3O3/c1-8-13-12(18-15-8)14-11(16)7-9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,13,14,15,16)
InChIKeyHFKYNJPJRWLVGB-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.57
Rot. Bonds4

About 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide

2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (PubChem CID 47235328) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
PubChem CID47235328
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide
SMILESCOc1ccccc1CC(=O)Nc1nc(C)no1
InChIInChI=1S/C12H13N3O3/c1-8-13-12(18-15-8)14-11(16)7-9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,13,14,15,16)
InChIKeyHFKYNJPJRWLVGB-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 17087461
1-(2-methoxyphenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 60719579
N-(4-methoxy-3-methylphenyl)-2-(2-methoxyphenyl)acetamide
CID 110776428
2-(2-methoxyphenyl)-N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]acetamide
CID 86263615
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927640
5-[(2-methoxyphenyl)methyl]-3-methyl-1,2,4-oxadiazole
CID 54077737
2-(2-methoxyphenyl)-N-(2-methylpyrazol-3-yl)acetamide
CID 112536636
N-[(2-methoxyphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110410122
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 1291267
2-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756856
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-methoxyphenyl)acetamide
CID 112687368
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
CID 57422281

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The IUPAC name of 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide (CID 47235328) is 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The canonical SMILES for 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is COc1ccccc1CC(=O)Nc1nc(C)no1.
What is the InChIKey of 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
The InChIKey is HFKYNJPJRWLVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-13-12(18-15-8)14-11(16)7-9-5-3-4-6-10(9)17-2/h3-6H,7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide?
2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide has a molecular weight of 247.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-N-(3-methyl-1,2,4-oxadiazol-5-yl)acetamide is sourced from PubChem (CID 47235328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).