2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

C10H7F3N2O4 — CID 114218204

IUPAC2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(COCC(F)(F)F)nc2n1
InChIInChI=1S/C10H7F3N2O4/c11-10(12,13)4-18-3-7-15-8-6(19-7)2-1-5(14-8)9(16)17/h1-2H,3-4H2,(H,16,17)
InChIKeyCMSVZVXOKNLSTD-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.00
Rot. Bonds4

About 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid

2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 114218204) has the molecular formula C10H7F3N2O4 and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
PubChem CID114218204
Molecular FormulaC10H7F3N2O4
Molecular Weight276.17 g/mol
Exact Mass276.04
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(COCC(F)(F)F)nc2n1
InChIInChI=1S/C10H7F3N2O4/c11-10(12,13)4-18-3-7-15-8-6(19-7)2-1-5(14-8)9(16)17/h1-2H,3-4H2,(H,16,17)
InChIKeyCMSVZVXOKNLSTD-UHFFFAOYSA-N
XLogP2.00
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (CID 114218204) is 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2oc(COCC(F)(F)F)nc2n1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is CMSVZVXOKNLSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O4/c11-10(12,13)4-18-3-7-15-8-6(19-7)2-1-5(14-8)9(16)17/h1-2H,3-4H2,(H,16,17).
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 276.17 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114218204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).