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

C16H9F2N3O — CID 10379857

IUPAC2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESFc1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c(F)c1
InChIInChI=1S/C16H9F2N3O/c17-10-1-2-11(14(18)6-10)9-5-12-13(16-19-3-4-22-16)8-21-15(12)20-7-9/h1-8H,(H,20,21)
InChIKeyFMODKVBJRQOOIL-UHFFFAOYSA-N
MW297.26 g/mol
LogP4.16
Rot. Bonds2

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

2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (PubChem CID 10379857) has the molecular formula C16H9F2N3O and a molecular weight of 297.26 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
PubChem CID10379857
Molecular FormulaC16H9F2N3O
Molecular Weight297.26 g/mol
Exact Mass297.07
IUPAC Name2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESFc1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c(F)c1
InChIInChI=1S/C16H9F2N3O/c17-10-1-2-11(14(18)6-10)9-5-12-13(16-19-3-4-22-16)8-21-15(12)20-7-9/h1-8H,(H,20,21)
InChIKeyFMODKVBJRQOOIL-UHFFFAOYSA-N
XLogP4.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The IUPAC name of 2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (CID 10379857) is 2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is Fc1ccc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c(F)c1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The InChIKey is FMODKVBJRQOOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F2N3O/c17-10-1-2-11(14(18)6-10)9-5-12-13(16-19-3-4-22-16)8-21-15(12)20-7-9/h1-8H,(H,20,21).
What are the key properties of 2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole has a molecular weight of 297.26 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is sourced from PubChem (CID 10379857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).