5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid

C7H2F3N3O3 — CID 82390192

IUPAC5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1onc2cnc(C(F)(F)F)nc12
InChIInChI=1S/C7H2F3N3O3/c8-7(9,10)6-11-1-2-3(12-6)4(5(14)15)16-13-2/h1H,(H,14,15)
InChIKeyWZSGLYABEKJPQZ-UHFFFAOYSA-N
MW233.10 g/mol
LogP1.33
Rot. Bonds1

About 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid

5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 82390192) has the molecular formula C7H2F3N3O3 and a molecular weight of 233.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID82390192
Molecular FormulaC7H2F3N3O3
Molecular Weight233.10 g/mol
Exact Mass233.00
IUPAC Name5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1onc2cnc(C(F)(F)F)nc12
InChIInChI=1S/C7H2F3N3O3/c8-7(9,10)6-11-1-2-3(12-6)4(5(14)15)16-13-2/h1H,(H,14,15)
InChIKeyWZSGLYABEKJPQZ-UHFFFAOYSA-N
XLogP1.33
TPSA89.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 82390192) is 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid is O=C(O)c1onc2cnc(C(F)(F)F)nc12.
What is the InChIKey of 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is WZSGLYABEKJPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F3N3O3/c8-7(9,10)6-11-1-2-3(12-6)4(5(14)15)16-13-2/h1H,(H,14,15).
What are the key properties of 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid?
5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 233.10 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-[1,2]oxazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 82390192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).