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

C9H11NO2 — CID 82414681

IUPAC5-cyclopentyl-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1ncoc1C1CCCC1
InChIInChI=1S/C9H11NO2/c11-5-8-9(12-6-10-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyYDYQOWGCSKKVGD-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.14
Rot. Bonds2

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

5-cyclopentyl-1,3-oxazole-4-carbaldehyde (PubChem CID 82414681) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 5-cyclopentyl-1,3-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-cyclopentyl-1,3-oxazole-4-carbaldehyde
PubChem CID82414681
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name5-cyclopentyl-1,3-oxazole-4-carbaldehyde
SMILESO=Cc1ncoc1C1CCCC1
InChIInChI=1S/C9H11NO2/c11-5-8-9(12-6-10-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyYDYQOWGCSKKVGD-UHFFFAOYSA-N
XLogP2.14
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 52.14
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 5-cyclopentyl-1,3-oxazole-4-carbaldehyde?
The IUPAC name of 5-cyclopentyl-1,3-oxazole-4-carbaldehyde (CID 82414681) is 5-cyclopentyl-1,3-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-cyclopentyl-1,3-oxazole-4-carbaldehyde?
The canonical SMILES for 5-cyclopentyl-1,3-oxazole-4-carbaldehyde is O=Cc1ncoc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-1,3-oxazole-4-carbaldehyde?
The InChIKey is YDYQOWGCSKKVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-5-8-9(12-6-10-8)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 5-cyclopentyl-1,3-oxazole-4-carbaldehyde?
5-cyclopentyl-1,3-oxazole-4-carbaldehyde has a molecular weight of 165.19 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1,3-oxazole-4-carbaldehyde is sourced from PubChem (CID 82414681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).