Fenadiazole

C₈H₆N₂O₂ — CID 13883

About Fenadiazole

Fenadiazole (PubChem CID 13883) has the molecular formula C₈H₆N₂O₂ and a molecular weight of 162.15 g/mol. Its IUPAC name is 2-(1,3,4-oxadiazol-2-yl)phenol.

Molecular Properties

• Compound Name: Fenadiazole
• PubChem CID: 13883
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.15 g/mol
• Exact Mass: 162.04
• IUPAC Name: 2-(1,3,4-oxadiazol-2-yl)phenol
• SMILES: Oc1ccccc1-c1nnco1
• InChI: InChI=1S/C8H6N2O2/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H
• InChIKey: OINXXHYENYVYPB-UHFFFAOYSA-N
• XLogP: 1.44
• TPSA: 59.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	162.15
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Fenadiazole?

The IUPAC name of Fenadiazole (CID 13883) is 2-(1,3,4-oxadiazol-2-yl)phenol.

What is the SMILES notation for Fenadiazole?

The canonical SMILES for Fenadiazole is Oc1ccccc1-c1nnco1.

What is the InChIKey of Fenadiazole?

The InChIKey is OINXXHYENYVYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-7-4-2-1-3-6(7)8-10-9-5-12-8/h1-5,11H.

What are the key properties of Fenadiazole?

Fenadiazole has a molecular weight of 162.15 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Fenadiazole is sourced from PubChem (CID 13883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13883 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3745 — approved-drug record (CC BY-SA 4.0)

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