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

C10H5BrFN3O — CID 155227522

IUPAC4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESFc1cnc2[nH]cc(-c3ocnc3Br)c2c1
InChIInChI=1S/C10H5BrFN3O/c11-9-8(16-4-15-9)7-3-14-10-6(7)1-5(12)2-13-10/h1-4H,(H,13,14)
InChIKeyOIURELVPONLCSS-UHFFFAOYSA-N
MW282.07 g/mol
LogP3.12
Rot. Bonds1

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

4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (PubChem CID 155227522) has the molecular formula C10H5BrFN3O and a molecular weight of 282.07 g/mol. Its IUPAC name is 4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
PubChem CID155227522
Molecular FormulaC10H5BrFN3O
Molecular Weight282.07 g/mol
Exact Mass280.96
IUPAC Name4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESFc1cnc2[nH]cc(-c3ocnc3Br)c2c1
InChIInChI=1S/C10H5BrFN3O/c11-9-8(16-4-15-9)7-3-14-10-6(7)1-5(12)2-13-10/h1-4H,(H,13,14)
InChIKeyOIURELVPONLCSS-UHFFFAOYSA-N
XLogP3.12
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.07
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The IUPAC name of 4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (CID 155227522) is 4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.
What is the SMILES notation for 4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The canonical SMILES for 4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is Fc1cnc2[nH]cc(-c3ocnc3Br)c2c1.
What is the InChIKey of 4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The InChIKey is OIURELVPONLCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFN3O/c11-9-8(16-4-15-9)7-3-14-10-6(7)1-5(12)2-13-10/h1-4H,(H,13,14).
What are the key properties of 4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole has a molecular weight of 282.07 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is sourced from PubChem (CID 155227522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).