2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole

C17H12F2N4O — CID 155212941

IUPAC2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3ccc4cccnc43)cc2)o1
InChIInChI=1S/C17H12F2N4O/c18-14(19)17-22-21-16(24-17)13-5-3-11(4-6-13)10-23-9-7-12-2-1-8-20-15(12)23/h1-9,14H,10H2
InChIKeyFSDCJKGHQJOTER-UHFFFAOYSA-N
MW326.31 g/mol
LogP4.07
Rot. Bonds4

About 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 155212941) has the molecular formula C17H12F2N4O and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole
PubChem CID155212941
Molecular FormulaC17H12F2N4O
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(Cn3ccc4cccnc43)cc2)o1
InChIInChI=1S/C17H12F2N4O/c18-14(19)17-22-21-16(24-17)13-5-3-11(4-6-13)10-23-9-7-12-2-1-8-20-15(12)23/h1-9,14H,10H2
InChIKeyFSDCJKGHQJOTER-UHFFFAOYSA-N
XLogP4.07
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole (CID 155212941) is 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(Cn3ccc4cccnc43)cc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is FSDCJKGHQJOTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O/c18-14(19)17-22-21-16(24-17)13-5-3-11(4-6-13)10-23-9-7-12-2-1-8-20-15(12)23/h1-9,14H,10H2.
What are the key properties of 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 326.31 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[4-(pyrrolo[2,3-b]pyridin-1-ylmethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 155212941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).