2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde

C13H10F3NO2 — CID 115086799

IUPAC2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(Cc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-4-2-1-3-9(11)7-12-17-8-10(19-12)5-6-18/h1-4,6,8H,5,7H2
InChIKeyIYELIFDCOADVAA-UHFFFAOYSA-N
MW269.22 g/mol
LogP3.03
Rot. Bonds4

About 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde

2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde (PubChem CID 115086799) has the molecular formula C13H10F3NO2 and a molecular weight of 269.22 g/mol. Its IUPAC name is 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde
PubChem CID115086799
Molecular FormulaC13H10F3NO2
Molecular Weight269.22 g/mol
Exact Mass269.07
IUPAC Name2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(Cc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C13H10F3NO2/c14-13(15,16)11-4-2-1-3-9(11)7-12-17-8-10(19-12)5-6-18/h1-4,6,8H,5,7H2
InChIKeyIYELIFDCOADVAA-UHFFFAOYSA-N
XLogP3.03
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.22
LogP ≤ 53.03
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 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde (CID 115086799) is 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde is O=CCc1cnc(Cc2ccccc2C(F)(F)F)o1.
What is the InChIKey of 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde?
The InChIKey is IYELIFDCOADVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO2/c14-13(15,16)11-4-2-1-3-9(11)7-12-17-8-10(19-12)5-6-18/h1-4,6,8H,5,7H2.
What are the key properties of 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde?
2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde has a molecular weight of 269.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]acetaldehyde is sourced from PubChem (CID 115086799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).