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

C12H10F2N2O3 — CID 114226799

IUPAC2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CCC(F)(F)C3)nc2n1
InChIInChI=1S/C12H10F2N2O3/c13-12(14)4-3-6(5-12)10-16-9-8(19-10)2-1-7(15-9)11(17)18/h1-2,6H,3-5H2,(H,17,18)
InChIKeyFYCXFMGGWPYYHA-UHFFFAOYSA-N
MW268.22 g/mol
LogP2.82
Rot. Bonds2

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

2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (PubChem CID 114226799) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
PubChem CID114226799
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid
SMILESO=C(O)c1ccc2oc(C3CCC(F)(F)C3)nc2n1
InChIInChI=1S/C12H10F2N2O3/c13-12(14)4-3-6(5-12)10-16-9-8(19-10)2-1-7(15-9)11(17)18/h1-2,6H,3-5H2,(H,17,18)
InChIKeyFYCXFMGGWPYYHA-UHFFFAOYSA-N
XLogP2.82
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid (CID 114226799) is 2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is O=C(O)c1ccc2oc(C3CCC(F)(F)C3)nc2n1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
The InChIKey is FYCXFMGGWPYYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c13-12(14)4-3-6(5-12)10-16-9-8(19-10)2-1-7(15-9)11(17)18/h1-2,6H,3-5H2,(H,17,18).
What are the key properties of 2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid?
2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid has a molecular weight of 268.22 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-[1,3]oxazolo[4,5-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 114226799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).