1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

C6H5F3N2O4 — CID 90040422

IUPAC1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cnco1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H4N2O2.C2HF3O2/c5-4(7)3-1-6-2-8-3;3-2(4,5)1(6)7/h1-2H,(H2,5,7);(H,6,7)
InChIKeyFPVLTEKXVNWMRG-UHFFFAOYSA-N
MW226.11 g/mol
LogP0.41
Rot. Bonds1

About 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid

1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 90040422) has the molecular formula C6H5F3N2O4 and a molecular weight of 226.11 g/mol. Its IUPAC name is 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID90040422
Molecular FormulaC6H5F3N2O4
Molecular Weight226.11 g/mol
Exact Mass226.02
IUPAC Name1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)c1cnco1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H4N2O2.C2HF3O2/c5-4(7)3-1-6-2-8-3;3-2(4,5)1(6)7/h1-2H,(H2,5,7);(H,6,7)
InChIKeyFPVLTEKXVNWMRG-UHFFFAOYSA-N
XLogP0.41
TPSA106.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.11
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid (CID 90040422) is 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)c1cnco1.O=C(O)C(F)(F)F.
What is the InChIKey of 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FPVLTEKXVNWMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2.C2HF3O2/c5-4(7)3-1-6-2-8-3;3-2(4,5)1(6)7/h1-2H,(H2,5,7);(H,6,7).
What are the key properties of 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid?
1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 226.11 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole-5-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 90040422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).