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

C9H5BrFNO — CID 84703029

IUPAC5-bromo-4-(3-fluorophenyl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2Br)c1
InChIInChI=1S/C9H5BrFNO/c10-9-8(5-12-13-9)6-2-1-3-7(11)4-6/h1-5H
InChIKeyVSRMLTMUWFNIPR-UHFFFAOYSA-N
MW242.05 g/mol
LogP3.24
Rot. Bonds1

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

5-bromo-4-(3-fluorophenyl)-1,2-oxazole (PubChem CID 84703029) has the molecular formula C9H5BrFNO and a molecular weight of 242.05 g/mol. Its IUPAC name is 5-bromo-4-(3-fluorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-bromo-4-(3-fluorophenyl)-1,2-oxazole
PubChem CID84703029
Molecular FormulaC9H5BrFNO
Molecular Weight242.05 g/mol
Exact Mass240.95
IUPAC Name5-bromo-4-(3-fluorophenyl)-1,2-oxazole
SMILESFc1cccc(-c2cnoc2Br)c1
InChIInChI=1S/C9H5BrFNO/c10-9-8(5-12-13-9)6-2-1-3-7(11)4-6/h1-5H
InChIKeyVSRMLTMUWFNIPR-UHFFFAOYSA-N
XLogP3.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.05
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-fluorophenyl)-1,2-oxazole?
The IUPAC name of 5-bromo-4-(3-fluorophenyl)-1,2-oxazole (CID 84703029) is 5-bromo-4-(3-fluorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-bromo-4-(3-fluorophenyl)-1,2-oxazole?
The canonical SMILES for 5-bromo-4-(3-fluorophenyl)-1,2-oxazole is Fc1cccc(-c2cnoc2Br)c1.
What is the InChIKey of 5-bromo-4-(3-fluorophenyl)-1,2-oxazole?
The InChIKey is VSRMLTMUWFNIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFNO/c10-9-8(5-12-13-9)6-2-1-3-7(11)4-6/h1-5H.
What are the key properties of 5-bromo-4-(3-fluorophenyl)-1,2-oxazole?
5-bromo-4-(3-fluorophenyl)-1,2-oxazole has a molecular weight of 242.05 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-fluorophenyl)-1,2-oxazole is sourced from PubChem (CID 84703029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).