2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde

C5H2F3NO2 — CID 53403797

IUPAC2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
SMILESO=Cc1cnc(C(F)(F)F)o1
InChIInChI=1S/C5H2F3NO2/c6-5(7,8)4-9-1-3(2-10)11-4/h1-2H
InChIKeyXHSMKQXJGKQRMM-UHFFFAOYSA-N
MW165.07 g/mol
LogP1.51
Rot. Bonds1

About 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde

2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde (PubChem CID 53403797) has the molecular formula C5H2F3NO2 and a molecular weight of 165.07 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
PubChem CID53403797
Molecular FormulaC5H2F3NO2
Molecular Weight165.07 g/mol
Exact Mass165.00
IUPAC Name2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde
SMILESO=Cc1cnc(C(F)(F)F)o1
InChIInChI=1S/C5H2F3NO2/c6-5(7,8)4-9-1-3(2-10)11-4/h1-2H
InChIKeyXHSMKQXJGKQRMM-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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Related Compounds

5-Oxazolecarboxaldehyde
CID 11829372
2-Tert-butyl-1,3-oxazole-5-carbaldehyde
CID 53403823
2,2,2-Trifluoro-1-(5-methyl-1,3-oxazol-2-yl)ethan-1-one
CID 137965662
5-Methyl-1,3-oxazole-2-carbaldehyde
CID 22081030
2-Methyl-1,3-oxazole-5-carbaldehyde
CID 28951068
2-Ethyl-1,3-oxazole-5-carbaldehyde
CID 53417038
2-Cyclopropyl-1,3-oxazole-5-carbaldehyde
CID 82125017
Methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 112756546
2-(Propan-2-yl)-1,3-oxazole-5-carbaldehyde
CID 82125021
Methyl 5-formyl-1,3-oxazole-2-carboxylate
CID 131467984
2-(2-Fluoropropan-2-yl)-1,3-oxazole-5-carbaldehyde
CID 84763808
5-(Trifluoromethyl)-1,3-oxazole-2-carbaldehyde
CID 88019800

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde?
The IUPAC name of 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde (CID 53403797) is 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde?
The canonical SMILES for 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde is O=Cc1cnc(C(F)(F)F)o1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde?
The InChIKey is XHSMKQXJGKQRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO2/c6-5(7,8)4-9-1-3(2-10)11-4/h1-2H.
What are the key properties of 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde?
2-(trifluoromethyl)-1,3-oxazole-5-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 2-(trifluoromethyl)-1,3-oxazole-5-carbaldehyde is sourced from PubChem (CID 53403797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).