4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde

C9H10BrNO2 — CID 83912815

IUPAC4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1noc(C2CCCC2)c1Br
InChIInChI=1S/C9H10BrNO2/c10-8-7(5-12)11-13-9(8)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyGQBJTFNHSWLZMS-UHFFFAOYSA-N
MW244.09 g/mol
LogP2.91
Rot. Bonds2

About 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde

4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde (PubChem CID 83912815) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde
PubChem CID83912815
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1noc(C2CCCC2)c1Br
InChIInChI=1S/C9H10BrNO2/c10-8-7(5-12)11-13-9(8)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyGQBJTFNHSWLZMS-UHFFFAOYSA-N
XLogP2.91
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 52.91
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

4-chloro-5-cyclohexyl-1,2-oxazole-3-carbaldehyde
CID 83909881
4-bromo-5-cyclopentyl-1,2-oxazole-3-carboxylic acid
CID 83913314
3-bromo-5-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 83910012
5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 165475526
5-cyclopentyl-1,3-oxazole-4-carbaldehyde
CID 82414681
2-bromo-5-cyclopentyl-1,3-thiazole-4-carbaldehyde
CID 84710146
5-cyclohexyl-1,2-oxazole-4-carbaldehyde
CID 82409621
4-bromo-5-cyclopentylfuran-2-carbaldehyde
CID 83843424
2-bromo-5-cyclobutyl-1,3-thiazole-4-carbaldehyde
CID 84705591
5-cyclohexyl-1,2-oxazole-3-carbaldehyde
CID 82409658
5-cyclopentyl-4-iodo-1,2-oxazol-3-amine
CID 79557488
4-bromo-3-cyclopentyl-1,2-oxazol-5-amine
CID 83911607

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde (CID 83912815) is 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde is O=Cc1noc(C2CCCC2)c1Br.
What is the InChIKey of 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde?
The InChIKey is GQBJTFNHSWLZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-8-7(5-12)11-13-9(8)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde?
4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde has a molecular weight of 244.09 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 83912815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).