4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde

C13H10F3NO2 — CID 162550853

IUPAC4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde
SMILESCCc1c(C=O)noc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO2/c1-2-10-11(7-18)17-19-12(10)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3
InChIKeyLAFARMKQYQCQKQ-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.74
Rot. Bonds3

About 4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde

4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde (PubChem CID 162550853) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde
PubChem CID162550853
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde
SMILESCCc1c(C=O)noc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H10F3NO2/c1-2-10-11(7-18)17-19-12(10)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3
InChIKeyLAFARMKQYQCQKQ-UHFFFAOYSA-N
XLogP3.74
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.74
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-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde?
The IUPAC name of 4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde (CID 162550853) is 4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde.
What is the SMILES notation for 4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde?
The canonical SMILES for 4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde is CCc1c(C=O)noc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde?
The InChIKey is LAFARMKQYQCQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c1-2-10-11(7-18)17-19-12(10)8-3-5-9(6-4-8)13(14,15)16/h3-7H,2H2,1H3.
What are the key properties of 4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde?
4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde has a molecular weight of 269.22 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carbaldehyde is sourced from PubChem (CID 162550853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).