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

C7H7NO2 — CID 83815081

IUPAC5-cyclopropyl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(C2CC2)on1
InChIInChI=1S/C7H7NO2/c9-4-6-3-7(10-8-6)5-1-2-5/h3-5H,1-2H2
InChIKeyHLLGIHNNWDNYJH-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.36
Rot. Bonds2

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

5-cyclopropyl-1,2-oxazole-3-carbaldehyde (PubChem CID 83815081) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 5-cyclopropyl-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name5-cyclopropyl-1,2-oxazole-3-carbaldehyde
PubChem CID83815081
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name5-cyclopropyl-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1cc(C2CC2)on1
InChIInChI=1S/C7H7NO2/c9-4-6-3-7(10-8-6)5-1-2-5/h3-5H,1-2H2
InChIKeyHLLGIHNNWDNYJH-UHFFFAOYSA-N
XLogP1.36
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.36
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-cyclopropyl-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 5-cyclopropyl-1,2-oxazole-3-carbaldehyde (CID 83815081) is 5-cyclopropyl-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 5-cyclopropyl-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 5-cyclopropyl-1,2-oxazole-3-carbaldehyde is O=Cc1cc(C2CC2)on1.
What is the InChIKey of 5-cyclopropyl-1,2-oxazole-3-carbaldehyde?
The InChIKey is HLLGIHNNWDNYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c9-4-6-3-7(10-8-6)5-1-2-5/h3-5H,1-2H2.
What are the key properties of 5-cyclopropyl-1,2-oxazole-3-carbaldehyde?
5-cyclopropyl-1,2-oxazole-3-carbaldehyde has a molecular weight of 137.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 83815081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).