2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole

C17H11F2N5O2 — CID 169290260

IUPAC2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(COc3ccc4ncccc4c3)nc2)o1
InChIInChI=1S/C17H11F2N5O2/c18-15(19)17-24-23-16(26-17)11-7-21-14(22-8-11)9-25-12-3-4-13-10(6-12)2-1-5-20-13/h1-8,15H,9H2
InChIKeyQFJSKNCTRAEGAR-UHFFFAOYSA-N
MW355.30 g/mol
LogP3.59
Rot. Bonds5

About 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole

2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole (PubChem CID 169290260) has the molecular formula C17H11F2N5O2 and a molecular weight of 355.30 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
PubChem CID169290260
Molecular FormulaC17H11F2N5O2
Molecular Weight355.30 g/mol
Exact Mass355.09
IUPAC Name2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(COc3ccc4ncccc4c3)nc2)o1
InChIInChI=1S/C17H11F2N5O2/c18-15(19)17-24-23-16(26-17)11-7-21-14(22-8-11)9-25-12-3-4-13-10(6-12)2-1-5-20-13/h1-8,15H,9H2
InChIKeyQFJSKNCTRAEGAR-UHFFFAOYSA-N
XLogP3.59
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole (CID 169290260) is 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2cnc(COc3ccc4ncccc4c3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The InChIKey is QFJSKNCTRAEGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O2/c18-15(19)17-24-23-16(26-17)11-7-21-14(22-8-11)9-25-12-3-4-13-10(6-12)2-1-5-20-13/h1-8,15H,9H2.
What are the key properties of 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole has a molecular weight of 355.30 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).