3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde

C10H6BrNO2 — CID 82362934

IUPAC3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1conc1-c1ccccc1Br
InChIInChI=1S/C10H6BrNO2/c11-9-4-2-1-3-8(9)10-7(5-13)6-14-12-10/h1-6H
InChIKeyUVBRDVNKWSGZNP-UHFFFAOYSA-N
MW252.07 g/mol
LogP2.92
Rot. Bonds2

About 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde

3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde (PubChem CID 82362934) has the molecular formula C10H6BrNO2 and a molecular weight of 252.07 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde
PubChem CID82362934
Molecular FormulaC10H6BrNO2
Molecular Weight252.07 g/mol
Exact Mass250.96
IUPAC Name3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1conc1-c1ccccc1Br
InChIInChI=1S/C10H6BrNO2/c11-9-4-2-1-3-8(9)10-7(5-13)6-14-12-10/h1-6H
InChIKeyUVBRDVNKWSGZNP-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde (CID 82362934) is 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde is O=Cc1conc1-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde?
The InChIKey is UVBRDVNKWSGZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO2/c11-9-4-2-1-3-8(9)10-7(5-13)6-14-12-10/h1-6H.
What are the key properties of 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde?
3-(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 3-(2-bromophenyl)-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 82362934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).