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

C10H5BrFNO2 — CID 83913586

IUPAC3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(Br)noc1-c1ccc(F)cc1
InChIInChI=1S/C10H5BrFNO2/c11-10-8(5-14)9(15-13-10)6-1-3-7(12)4-2-6/h1-5H
InChIKeyWAYWZOCUOPANQE-UHFFFAOYSA-N
MW270.06 g/mol
LogP3.06
Rot. Bonds2

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

3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 83913586) has the molecular formula C10H5BrFNO2 and a molecular weight of 270.06 g/mol. Its IUPAC name is 3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID83913586
Molecular FormulaC10H5BrFNO2
Molecular Weight270.06 g/mol
Exact Mass268.95
IUPAC Name3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(Br)noc1-c1ccc(F)cc1
InChIInChI=1S/C10H5BrFNO2/c11-10-8(5-14)9(15-13-10)6-1-3-7(12)4-2-6/h1-5H
InChIKeyWAYWZOCUOPANQE-UHFFFAOYSA-N
XLogP3.06
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.06
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-(4-hydroxyphenyl)-1,2-oxazole-4-carbaldehyde
CID 136900874
4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
CID 83913589
5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
CID 83913544
4-fluoro-2-(4-fluorophenyl)pyridine-3-carbaldehyde
CID 118993010
3-chloro-5-(4-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 105422177
3-bromo-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 83910012
5-[4-(4-cyclopropylphenyl)phenyl]-3-methyl-1,2-oxazole-4-carbaldehyde
CID 141297227
3-methyl-5-(4-propylphenyl)-1,2-oxazole-4-carbaldehyde
CID 82128389
6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
CID 108783294
5-bromo-1-(2-fluorophenyl)-3-(4-fluorophenyl)pyrazole-4-carbaldehyde
CID 87406174
5-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 87734412
5-(5-bromofuran-2-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 6458361

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde (CID 83913586) is 3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde is O=Cc1c(Br)noc1-c1ccc(F)cc1.
What is the InChIKey of 3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is WAYWZOCUOPANQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO2/c11-10-8(5-14)9(15-13-10)6-1-3-7(12)4-2-6/h1-5H.
What are the key properties of 3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde?
3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 270.06 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4-fluorophenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 83913586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).