2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide

C19H19N3O2 — CID 43819055

IUPAC2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2noc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H19N3O2/c1-13-8-9-14(2)16(10-13)20-18(23)12-17-21-19(24-22-17)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyZWPCWAUARVUWCU-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.46
Rot. Bonds5

About 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide

2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide (PubChem CID 43819055) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide
PubChem CID43819055
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2noc(Cc3ccccc3)n2)c1
InChIInChI=1S/C19H19N3O2/c1-13-8-9-14(2)16(10-13)20-18(23)12-17-21-19(24-22-17)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)
InChIKeyZWPCWAUARVUWCU-UHFFFAOYSA-N
XLogP3.46
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 27211176
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414
N-(2,5-dimethylphenyl)-2-(4-methylphenyl)acetamide
CID 889351
N-(2,5-dimethylphenyl)-2-(2-hydroxyphenyl)acetamide
CID 78991426
N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427770
N-(2-methoxy-5-methylphenyl)-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110422441
[2-(2,5-dimethylanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2335829
3-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 2561661
N-(2,5-dimethylphenyl)-2-(2-fluorophenyl)acetamide
CID 2596673
1-[5-[(3-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-one
CID 115078829
N-(2,5-dimethylphenyl)-2-(methylamino)acetamide
CID 2396341
N-(2,5-dimethylphenyl)-2-(2-phenylethylsulfonylamino)acetamide
CID 112996509

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide (CID 43819055) is 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cc2noc(Cc3ccccc3)n2)c1.
What is the InChIKey of 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is ZWPCWAUARVUWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-8-9-14(2)16(10-13)20-18(23)12-17-21-19(24-22-17)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide?
2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 43819055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).