4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol

C13H12FN5O2 — CID 136810172

About 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol

4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol (PubChem CID 136810172) has the molecular formula C13H12FN5O2 and a molecular weight of 289.27 g/mol. Its IUPAC name is 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol.

Molecular Properties

• Compound Name: 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
• PubChem CID: 136810172
• Molecular Formula: C13H12FN5O2
• Molecular Weight: 289.27 g/mol
• Exact Mass: 289.10
• IUPAC Name: 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
• SMILES: NC(Cc1cnc[nH]1)c1nc(-c2ccc(O)c(F)c2)no1
• InChI: InChI=1S/C13H12FN5O2/c14-9-3-7(1-2-11(9)20)12-18-13(21-19-12)10(15)4-8-5-16-6-17-8/h1-3,5-6,10,20H,4,15H2,(H,16,17)
• InChIKey: STVJVTYOKDLAIN-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 113.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.27
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol?

The IUPAC name of 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol (CID 136810172) is 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol.

What is the SMILES notation for 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol?

The canonical SMILES for 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol is NC(Cc1cnc[nH]1)c1nc(-c2ccc(O)c(F)c2)no1.

What is the InChIKey of 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol?

The InChIKey is STVJVTYOKDLAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5O2/c14-9-3-7(1-2-11(9)20)12-18-13(21-19-12)10(15)4-8-5-16-6-17-8/h1-3,5-6,10,20H,4,15H2,(H,16,17).

What are the key properties of 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol?

4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol has a molecular weight of 289.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol is sourced from PubChem (CID 136810172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).