4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde

C5H2F3NO2 — CID 174760219

IUPAC4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1nocc1C(F)(F)F
InChIInChI=1S/C5H2F3NO2/c6-5(7,8)3-2-11-9-4(3)1-10/h1-2H
InChIKeyPFZQARIGPUNDQL-UHFFFAOYSA-N
MW165.07 g/mol
LogP1.51
Rot. Bonds1

About 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde

4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde (PubChem CID 174760219) has the molecular formula C5H2F3NO2 and a molecular weight of 165.07 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde
PubChem CID174760219
Molecular FormulaC5H2F3NO2
Molecular Weight165.07 g/mol
Exact Mass165.00
IUPAC Name4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde
SMILESO=Cc1nocc1C(F)(F)F
InChIInChI=1S/C5H2F3NO2/c6-5(7,8)3-2-11-9-4(3)1-10/h1-2H
InChIKeyPFZQARIGPUNDQL-UHFFFAOYSA-N
XLogP1.51
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.07
LogP ≤ 51.51
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 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde (CID 174760219) is 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde is O=Cc1nocc1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde?
The InChIKey is PFZQARIGPUNDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO2/c6-5(7,8)3-2-11-9-4(3)1-10/h1-2H.
What are the key properties of 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde?
4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde has a molecular weight of 165.07 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 174760219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).