3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole

C11H6FIN4O — CID 19324652

IUPAC3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3[nH]ncc3I)n2)cc1
InChIInChI=1S/C11H6FIN4O/c12-7-3-1-6(2-4-7)10-15-11(18-17-10)9-8(13)5-14-16-9/h1-5H,(H,14,16)
InChIKeyHMYRNWKWPCFYEW-UHFFFAOYSA-N
MW356.10 g/mol
LogP2.87
Rot. Bonds2

About 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole (PubChem CID 19324652) has the molecular formula C11H6FIN4O and a molecular weight of 356.10 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole
PubChem CID19324652
Molecular FormulaC11H6FIN4O
Molecular Weight356.10 g/mol
Exact Mass355.96
IUPAC Name3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3[nH]ncc3I)n2)cc1
InChIInChI=1S/C11H6FIN4O/c12-7-3-1-6(2-4-7)10-15-11(18-17-10)9-8(13)5-14-16-9/h1-5H,(H,14,16)
InChIKeyHMYRNWKWPCFYEW-UHFFFAOYSA-N
XLogP2.87
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.10
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-fluorophenyl)-4-iodo-1H-pyrazole
CID 63735008
2-[4-[5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328449
3-(4-fluorophenyl)-5-(4-iodo-1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 19324649
5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6458361
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528095
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
3,5-bis(4-iodophenyl)-1,2,4-oxadiazole
CID 21231936
3-(4-fluorophenyl)-5-(2-methylphenyl)-1,2,4-oxadiazole
CID 817382
4-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]aniline
CID 43514752
3-(4-fluorophenyl)-5-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 6459125
5-(4-fluorophenyl)-3-(4-propoxyphenyl)-1,2,4-oxadiazole
CID 46044140
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 43514715

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole (CID 19324652) is 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3[nH]ncc3I)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is HMYRNWKWPCFYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FIN4O/c12-7-3-1-6(2-4-7)10-15-11(18-17-10)9-8(13)5-14-16-9/h1-5H,(H,14,16).
What are the key properties of 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 356.10 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(4-iodo-1H-pyrazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 19324652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).