5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde

C10H6BrNO2 — CID 82382423

IUPAC5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1-c1ccccc1Br
InChIInChI=1S/C10H6BrNO2/c11-9-4-2-1-3-8(9)10-7(6-13)5-12-14-10/h1-6H
InChIKeyAJFJZOGGZVEPRV-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.92
Rot. Bonds2

About 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde

5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 82382423) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID82382423
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1cnoc1-c1ccccc1Br
InChIInChI=1S/C10H6BrNO2/c11-9-4-2-1-3-8(9)10-7(6-13)5-12-14-10/h1-6H
InChIKeyAJFJZOGGZVEPRV-UHFFFAOYSA-N
XLogP2.92
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde
CID 82362934
3-(2-bromophenyl)-1-methylpyrazole-4-carbaldehyde
CID 43141306
5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde
CID 82411534
3-(2-bromophenyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 63773373
3-(2-bromophenyl)-1-propan-2-ylpyrazole-4-carbaldehyde
CID 61266660
2-bromobenzaldehyde;bromobenzene
CID 174648828
7-bromo-1,2-benzoxazole-4-carbaldehyde
CID 117109919
5-(2-bromophenyl)oxadiazole
CID 86070760
2-(4-bromo-1,2-benzoxazol-3-yl)benzaldehyde
CID 164915558
2-(2-bromophenyl)-5-fluorobenzaldehyde
CID 71600185
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carbaldehyde
CID 115005771
2-bromo-6-(2-bromophenyl)benzaldehyde
CID 90419331

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde (CID 82382423) is 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde is O=Cc1cnoc1-c1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is AJFJZOGGZVEPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-9-4-2-1-3-8(9)10-7(6-13)5-12-14-10/h1-6H.
What are the key properties of 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde?
5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde has a molecular weight of 252.07 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 82382423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).