2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide

C14H9F2N3O4 — CID 146132598

IUPAC2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)Nc1ccon1
InChIInChI=1S/C14H9F2N3O4/c15-14(16)9-4-2-1-3-8(9)12(21)19(13(14)22)7-11(20)17-10-5-6-23-18-10/h1-6H,7H2,(H,17,18,20)
InChIKeyDFIDWBPUQDCVCG-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.39
Rot. Bonds3

About 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide

2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 146132598) has the molecular formula C14H9F2N3O4 and a molecular weight of 321.24 g/mol. Its IUPAC name is 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide
PubChem CID146132598
Molecular FormulaC14H9F2N3O4
Molecular Weight321.24 g/mol
Exact Mass321.06
IUPAC Name2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)Nc1ccon1
InChIInChI=1S/C14H9F2N3O4/c15-14(16)9-4-2-1-3-8(9)12(21)19(13(14)22)7-11(20)17-10-5-6-23-18-10/h1-6H,7H2,(H,17,18,20)
InChIKeyDFIDWBPUQDCVCG-UHFFFAOYSA-N
XLogP1.39
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide (CID 146132598) is 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide is O=C(CN1C(=O)c2ccccc2C(F)(F)C1=O)Nc1ccon1.
What is the InChIKey of 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is DFIDWBPUQDCVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2N3O4/c15-14(16)9-4-2-1-3-8(9)12(21)19(13(14)22)7-11(20)17-10-5-6-23-18-10/h1-6H,7H2,(H,17,18,20).
What are the key properties of 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide?
2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 321.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 146132598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).