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

C11H9N3O4 — CID 1246930

IUPAC2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccon1
InChIInChI=1S/C11H9N3O4/c15-11(12-10-5-6-18-13-10)7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKeyIQXCLFHHXKFJRJ-UHFFFAOYSA-N
MW247.21 g/mol
LogP1.76
Rot. Bonds4

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

2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide (PubChem CID 1246930) has the molecular formula C11H9N3O4 and a molecular weight of 247.21 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide
PubChem CID1246930
Molecular FormulaC11H9N3O4
Molecular Weight247.21 g/mol
Exact Mass247.06
IUPAC Name2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccon1
InChIInChI=1S/C11H9N3O4/c15-11(12-10-5-6-18-13-10)7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKeyIQXCLFHHXKFJRJ-UHFFFAOYSA-N
XLogP1.76
TPSA98.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.21
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide (CID 1246930) is 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccon1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide?
The InChIKey is IQXCLFHHXKFJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4/c15-11(12-10-5-6-18-13-10)7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15).
What are the key properties of 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide?
2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide has a molecular weight of 247.21 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 1246930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).