5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde

C10H6BrNO2 — CID 11075933

IUPAC5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1ncoc1-c1ccc(Br)cc1
InChIInChI=1S/C10H6BrNO2/c11-8-3-1-7(2-4-8)10-9(5-13)12-6-14-10/h1-6H
InChIKeyMREQVSHPONQHEG-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.92
Rot. Bonds2

About 5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde

5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde (PubChem CID 11075933) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde
PubChem CID11075933
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1ncoc1-c1ccc(Br)cc1
InChIInChI=1S/C10H6BrNO2/c11-8-3-1-7(2-4-8)10-9(5-13)12-6-14-10/h1-6H
InChIKeyMREQVSHPONQHEG-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-(4-bromophenyl)-1,3-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

5-pyridin-4-yl-1,3-oxazole-4-carbaldehyde
CID 82411528
5-(4-bromophenyl)-4-diethoxyphosphoryl-1,3-oxazole
CID 101424669
4-(4-methyl-1,3-oxazol-5-yl)benzaldehyde
CID 83483323
5-[4-(4-bromophenyl)phenyl]sulfanyl-2H-triazole-4-carbaldehyde
CID 129228193
2-(4-bromophenyl)pyridine-3-carbaldehyde
CID 82380052
6-[5-(4-bromophenyl)-1,3-oxazol-4-yl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 11428801
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
5-(4-bromophenyl)furan-2-carbaldehyde
CID 619577
4-bromo-5-(4-fluorophenyl)-1,2-oxazole-3-carbaldehyde
CID 83913589
5-ethoxy-1,3-oxazole-4-carbaldehyde
CID 88707146
5-(4-bromophenyl)-1,3-oxazole
CID 2776418
bis(4-bromobenzaldehyde);hydrate
CID 174866505

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde (CID 11075933) is 5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde is O=Cc1ncoc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde?
The InChIKey is MREQVSHPONQHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-8-3-1-7(2-4-8)10-9(5-13)12-6-14-10/h1-6H.
What are the key properties of 5-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde?
5-(4-bromophenyl)-1,3-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-(4-bromophenyl)-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 11075933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).