2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H11N3O3 — CID 2565280

IUPAC2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccccc2C#N)no1
InChIInChI=1S/C13H11N3O3/c1-9-6-12(16-19-9)15-13(17)8-18-11-5-3-2-4-10(11)7-14/h2-6H,8H2,1H3,(H,15,16,17)
InChIKeyYGVUKVXITSNETL-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.87
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 2565280) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID2565280
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccccc2C#N)no1
InChIInChI=1S/C13H11N3O3/c1-9-6-12(16-19-9)15-13(17)8-18-11-5-3-2-4-10(11)7-14/h2-6H,8H2,1H3,(H,15,16,17)
InChIKeyYGVUKVXITSNETL-UHFFFAOYSA-N
XLogP1.87
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 2565280) is 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)COc2ccccc2C#N)no1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is YGVUKVXITSNETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-9-6-12(16-19-9)15-13(17)8-18-11-5-3-2-4-10(11)7-14/h2-6H,8H2,1H3,(H,15,16,17).
What are the key properties of 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 257.25 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 2565280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).