2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole

C18H11F3N4O2 — CID 169290333

IUPAC2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1COc1ccc2cnccc2c1
InChIInChI=1S/C18H11F3N4O2/c19-14-6-12(17-24-25-18(27-17)16(20)21)8-23-15(14)9-26-13-2-1-11-7-22-4-3-10(11)5-13/h1-8,16H,9H2
InChIKeySZWSJFXRGQEUEO-UHFFFAOYSA-N
MW372.31 g/mol
LogP4.34
Rot. Bonds5

About 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290333) has the molecular formula C18H11F3N4O2 and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290333
Molecular FormulaC18H11F3N4O2
Molecular Weight372.31 g/mol
Exact Mass372.08
IUPAC Name2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1COc1ccc2cnccc2c1
InChIInChI=1S/C18H11F3N4O2/c19-14-6-12(17-24-25-18(27-17)16(20)21)8-23-15(14)9-26-13-2-1-11-7-22-4-3-10(11)5-13/h1-8,16H,9H2
InChIKeySZWSJFXRGQEUEO-UHFFFAOYSA-N
XLogP4.34
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290333) is 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is Fc1cc(-c2nnc(C(F)F)o2)cnc1COc1ccc2cnccc2c1.
What is the InChIKey of 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is SZWSJFXRGQEUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O2/c19-14-6-12(17-24-25-18(27-17)16(20)21)8-23-15(14)9-26-13-2-1-11-7-22-4-3-10(11)5-13/h1-8,16H,9H2.
What are the key properties of 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 372.31 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-6-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).