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

C12H15NO2 — CID 165475526

IUPAC5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(C2CC2)noc1C1CCCC1
InChIInChI=1S/C12H15NO2/c14-7-10-11(8-5-6-8)13-15-12(10)9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyOQLGVFIMIZGVBH-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.02
Rot. Bonds3

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

5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde (PubChem CID 165475526) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde.

Molecular Properties

Compound Name5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde
PubChem CID165475526
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde
SMILESO=Cc1c(C2CC2)noc1C1CCCC1
InChIInChI=1S/C12H15NO2/c14-7-10-11(8-5-6-8)13-15-12(10)9-3-1-2-4-9/h7-9H,1-6H2
InChIKeyOQLGVFIMIZGVBH-UHFFFAOYSA-N
XLogP3.02
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.02
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-3-cyclopropyl-1,2-oxazole-4-carbaldehyde?
The IUPAC name of 5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde (CID 165475526) is 5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde.
What is the SMILES notation for 5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde?
The canonical SMILES for 5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde is O=Cc1c(C2CC2)noc1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde?
The InChIKey is OQLGVFIMIZGVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c14-7-10-11(8-5-6-8)13-15-12(10)9-3-1-2-4-9/h7-9H,1-6H2.
What are the key properties of 5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde?
5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde has a molecular weight of 205.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde is sourced from PubChem (CID 165475526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).