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

C10H5BrFNO2 — CID 83913589

IUPAC4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1noc(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C10H5BrFNO2/c11-9-8(5-14)13-15-10(9)6-1-3-7(12)4-2-6/h1-5H
InChIKeyLFRKIJYXZZCADZ-UHFFFAOYSA-N
MW270.06 g/mol
LogP3.06
Rot. Bonds2

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

4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde (PubChem CID 83913589) has the molecular formula C10H5BrFNO2 and a molecular weight of 270.06 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
PubChem CID83913589
Molecular FormulaC10H5BrFNO2
Molecular Weight270.06 g/mol
Exact Mass268.95
IUPAC Name4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1noc(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C10H5BrFNO2/c11-9-8(5-14)13-15-10(9)6-1-3-7(12)4-2-6/h1-5H
InChIKeyLFRKIJYXZZCADZ-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-fluorophenyl)-1,2-oxazole-4-carbaldehyde
CID 83913586
6-fluoro-1,2-benzoxazole-3-carbaldehyde
CID 89169705
5-bromo-3-(4-fluorophenyl)-1H-pyrazole-4-carbaldehyde
CID 83913544
4-chloro-5-(4-chloro-3-fluorophenyl)-1,2-oxazole-3-carbaldehyde
CID 123482569
3-chloro-5-(4-fluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 105422177
5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole
CID 71337544
4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde
CID 162550853
5-(4-fluorophenyl)-1,2-oxazol-4-amine
CID 82410181
3-bromo-5-(4-hydroxyphenyl)-1,2-oxazole-4-carbaldehyde
CID 136900874
3-(4-fluorophenyl)-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 131869828
4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
CID 79556113
6-bromo-[1,2]oxazolo[5,4-b]pyridine-3-carbaldehyde
CID 82391448

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde (CID 83913589) is 4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde is O=Cc1noc(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
The InChIKey is LFRKIJYXZZCADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO2/c11-9-8(5-14)13-15-10(9)6-1-3-7(12)4-2-6/h1-5H.
What are the key properties of 4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde?
4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-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 4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 83913589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).