2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide

C18H17N3O3 — CID 20897204

IUPAC2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2noc(-c3ccccc3)n2)c1C
InChIInChI=1S/C18H17N3O3/c1-12-7-6-10-15(13(12)2)23-11-16(22)19-18-20-17(24-21-18)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyFTPATYSXXDXPTJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.37
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide

2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide (PubChem CID 20897204) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
PubChem CID20897204
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide
SMILESCc1cccc(OCC(=O)Nc2noc(-c3ccccc3)n2)c1C
InChIInChI=1S/C18H17N3O3/c1-12-7-6-10-15(13(12)2)23-11-16(22)19-18-20-17(24-21-18)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,19,21,22)
InChIKeyFTPATYSXXDXPTJ-UHFFFAOYSA-N
XLogP3.37
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide (CID 20897204) is 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide is Cc1cccc(OCC(=O)Nc2noc(-c3ccccc3)n2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide?
The InChIKey is FTPATYSXXDXPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-7-6-10-15(13(12)2)23-11-16(22)19-18-20-17(24-21-18)14-8-4-3-5-9-14/h3-10H,11H2,1-2H3,(H,19,21,22).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide?
2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(5-phenyl-1,2,4-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 20897204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).