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

C10H7F3N2O3 — CID 114218174

IUPAC2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(CCC(F)(F)F)nc2n1
InChIInChI=1S/C10H7F3N2O3/c11-10(12,13)4-3-7-15-8-6(18-7)2-1-5(14-8)9(16)17/h1-2H,3-4H2,(H,16,17)
InChIKeyQQASTCUZZGJVGD-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.42
Rot. Bonds3

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

2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 114218174) has the molecular formula C10H7F3N2O3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
PubChem CID114218174
Molecular FormulaC10H7F3N2O3
Molecular Weight260.17 g/mol
Exact Mass260.04
IUPAC Name2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(CCC(F)(F)F)nc2n1
InChIInChI=1S/C10H7F3N2O3/c11-10(12,13)4-3-7-15-8-6(18-7)2-1-5(14-8)9(16)17/h1-2H,3-4H2,(H,16,17)
InChIKeyQQASTCUZZGJVGD-UHFFFAOYSA-N
XLogP2.42
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (CID 114218174) is 2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2oc(CCC(F)(F)F)nc2n1.
What is the InChIKey of 2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is QQASTCUZZGJVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3/c11-10(12,13)4-3-7-15-8-6(18-7)2-1-5(14-8)9(16)17/h1-2H,3-4H2,(H,16,17).
What are the key properties of 2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 260.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114218174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).