4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole

C9H4BrFINO — CID 102974675

IUPAC4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole
SMILESFc1ccc(Br)cc1-c1coc(I)n1
InChIInChI=1S/C9H4BrFINO/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-4H
InChIKeyFWOQEHHDTORIGF-UHFFFAOYSA-N
MW367.94 g/mol
LogP3.85
Rot. Bonds1

About 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole

4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole (PubChem CID 102974675) has the molecular formula C9H4BrFINO and a molecular weight of 367.94 g/mol. Its IUPAC name is 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole.

Molecular Properties

Compound Name4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole
PubChem CID102974675
Molecular FormulaC9H4BrFINO
Molecular Weight367.94 g/mol
Exact Mass366.85
IUPAC Name4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole
SMILESFc1ccc(Br)cc1-c1coc(I)n1
InChIInChI=1S/C9H4BrFINO/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-4H
InChIKeyFWOQEHHDTORIGF-UHFFFAOYSA-N
XLogP3.85
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.94
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole
CID 102974718
2-(5-bromo-2-fluorophenyl)-5-iodo-1,3,4-oxadiazole
CID 114771851
4-(4-chlorophenyl)-2-iodo-1,3-oxazole
CID 102974677
2-(5-bromo-2-fluorophenyl)-6-chloropyridine
CID 79742890
4-(3,5-difluorophenyl)-2-iodo-1,3-oxazole
CID 45139288
2-(5-bromo-2-fluorophenyl)-6-chloropyrazine
CID 79743065
2-(5-bromo-2-fluorophenyl)-4-fluoropyridine
CID 102824499
6-(5-bromo-2-fluorophenyl)-2-methylpyrimidin-4-amine
CID 79742709
4-(5-bromo-2-fluorophenyl)-2,6-dichloropyridine
CID 84604363
4-bromo-1-fluoro-2-iodobenzene
CID 2782750
2-(5-bromo-2-fluorophenyl)-6-fluoroimidazo[1,2-a]pyridine
CID 82973534
[4-(5-bromo-2-fluorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 82973465

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole?
The IUPAC name of 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole (CID 102974675) is 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole.
What is the SMILES notation for 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole?
The canonical SMILES for 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole is Fc1ccc(Br)cc1-c1coc(I)n1.
What is the InChIKey of 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole?
The InChIKey is FWOQEHHDTORIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFINO/c10-5-1-2-7(11)6(3-5)8-4-14-9(12)13-8/h1-4H.
What are the key properties of 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole?
4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole has a molecular weight of 367.94 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole is sourced from PubChem (CID 102974675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).