2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole

C15H8F2N4O — CID 67376668

IUPAC2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole
SMILESFc1cccc(F)c1-c1nnc(-c2ccnc3[nH]ccc23)o1
InChIInChI=1S/C15H8F2N4O/c16-10-2-1-3-11(17)12(10)15-21-20-14(22-15)9-5-7-19-13-8(9)4-6-18-13/h1-7H,(H,18,19)
InChIKeyBEGOXLBVFGTBSA-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.56
Rot. Bonds2

About 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole

2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole (PubChem CID 67376668) has the molecular formula C15H8F2N4O and a molecular weight of 298.25 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole
PubChem CID67376668
Molecular FormulaC15H8F2N4O
Molecular Weight298.25 g/mol
Exact Mass298.07
IUPAC Name2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole
SMILESFc1cccc(F)c1-c1nnc(-c2ccnc3[nH]ccc23)o1
InChIInChI=1S/C15H8F2N4O/c16-10-2-1-3-11(17)12(10)15-21-20-14(22-15)9-5-7-19-13-8(9)4-6-18-13/h1-7H,(H,18,19)
InChIKeyBEGOXLBVFGTBSA-UHFFFAOYSA-N
XLogP3.56
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole (CID 67376668) is 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole is Fc1cccc(F)c1-c1nnc(-c2ccnc3[nH]ccc23)o1.
What is the InChIKey of 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole?
The InChIKey is BEGOXLBVFGTBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2N4O/c16-10-2-1-3-11(17)12(10)15-21-20-14(22-15)9-5-7-19-13-8(9)4-6-18-13/h1-7H,(H,18,19).
What are the key properties of 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole?
2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole has a molecular weight of 298.25 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 67376668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).