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

C9H11NO2 — CID 14366568

IUPAC3-cyclopentyl-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(C2CCCC2)no1
InChIInChI=1S/C9H11NO2/c11-6-8-5-9(10-12-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyQOCUPJYTQWCSJW-UHFFFAOYSA-N
MW165.19 g/mol
LogP2.14
Rot. Bonds2

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

3-cyclopentyl-1,2-oxazole-5-carbaldehyde (PubChem CID 14366568) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-cyclopentyl-1,2-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name3-cyclopentyl-1,2-oxazole-5-carbaldehyde
PubChem CID14366568
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-cyclopentyl-1,2-oxazole-5-carbaldehyde
SMILESO=Cc1cc(C2CCCC2)no1
InChIInChI=1S/C9H11NO2/c11-6-8-5-9(10-12-8)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyQOCUPJYTQWCSJW-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 3-cyclopentyl-1,2-oxazole-5-carbaldehyde?
The IUPAC name of 3-cyclopentyl-1,2-oxazole-5-carbaldehyde (CID 14366568) is 3-cyclopentyl-1,2-oxazole-5-carbaldehyde.
What is the SMILES notation for 3-cyclopentyl-1,2-oxazole-5-carbaldehyde?
The canonical SMILES for 3-cyclopentyl-1,2-oxazole-5-carbaldehyde is O=Cc1cc(C2CCCC2)no1.
What is the InChIKey of 3-cyclopentyl-1,2-oxazole-5-carbaldehyde?
The InChIKey is QOCUPJYTQWCSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c11-6-8-5-9(10-12-8)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 3-cyclopentyl-1,2-oxazole-5-carbaldehyde?
3-cyclopentyl-1,2-oxazole-5-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 3-cyclopentyl-1,2-oxazole-5-carbaldehyde is sourced from PubChem (CID 14366568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).