5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole

C11H5F4N3O — CID 155227523

IUPAC5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole
SMILESFc1cnc2[nH]cc(-c3ocnc3C(F)(F)F)c2c1
InChIInChI=1S/C11H5F4N3O/c12-5-1-6-7(3-17-10(6)16-2-5)8-9(11(13,14)15)18-4-19-8/h1-4H,(H,16,17)
InChIKeySPIOLZUTOZNEEK-UHFFFAOYSA-N
MW271.17 g/mol
LogP3.38
Rot. Bonds1

About 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole

5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 155227523) has the molecular formula C11H5F4N3O and a molecular weight of 271.17 g/mol. Its IUPAC name is 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole
PubChem CID155227523
Molecular FormulaC11H5F4N3O
Molecular Weight271.17 g/mol
Exact Mass271.04
IUPAC Name5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole
SMILESFc1cnc2[nH]cc(-c3ocnc3C(F)(F)F)c2c1
InChIInChI=1S/C11H5F4N3O/c12-5-1-6-7(3-17-10(6)16-2-5)8-9(11(13,14)15)18-4-19-8/h1-4H,(H,16,17)
InChIKeySPIOLZUTOZNEEK-UHFFFAOYSA-N
XLogP3.38
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.17
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole (CID 155227523) is 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole is Fc1cnc2[nH]cc(-c3ocnc3C(F)(F)F)c2c1.
What is the InChIKey of 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is SPIOLZUTOZNEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4N3O/c12-5-1-6-7(3-17-10(6)16-2-5)8-9(11(13,14)15)18-4-19-8/h1-4H,(H,16,17).
What are the key properties of 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole?
5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 271.17 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 155227523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).