5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide

C9H7N3O3 — CID 5325385

IUPAC5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide
SMILESNC(=O)c1no[n+]([O-])c1-c1ccccc1
InChIInChI=1S/C9H7N3O3/c10-9(13)7-8(12(14)15-11-7)6-4-2-1-3-5-6/h1-5H,(H2,10,13)
InChIKeyFCJXWSIYGZBVHM-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.07
Rot. Bonds2

About 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide

5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide (PubChem CID 5325385) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide.

Molecular Properties

Compound Name5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide
PubChem CID5325385
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide
SMILESNC(=O)c1no[n+]([O-])c1-c1ccccc1
InChIInChI=1S/C9H7N3O3/c10-9(13)7-8(12(14)15-11-7)6-4-2-1-3-5-6/h1-5H,(H2,10,13)
InChIKeyFCJXWSIYGZBVHM-UHFFFAOYSA-N
XLogP0.07
TPSA96.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide 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 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide?
The IUPAC name of 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide (CID 5325385) is 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide.
What is the SMILES notation for 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide?
The canonical SMILES for 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide is NC(=O)c1no[n+]([O-])c1-c1ccccc1.
What is the InChIKey of 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide?
The InChIKey is FCJXWSIYGZBVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c10-9(13)7-8(12(14)15-11-7)6-4-2-1-3-5-6/h1-5H,(H2,10,13).
What are the key properties of 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide?
5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide has a molecular weight of 205.17 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxido-4-phenyl-1,2,5-oxadiazol-5-ium-3-carboxamide is sourced from PubChem (CID 5325385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).