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

C13H9F2N5O2 — CID 169290165

IUPAC2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cncnc3)nc2)o1
InChIInChI=1S/C13H9F2N5O2/c14-11(15)13-20-19-12(22-13)8-1-2-9(18-3-8)6-21-10-4-16-7-17-5-10/h1-5,7,11H,6H2
InChIKeyXWZGARMTXHRFOX-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.44
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290165) has the molecular formula C13H9F2N5O2 and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290165
Molecular FormulaC13H9F2N5O2
Molecular Weight305.24 g/mol
Exact Mass305.07
IUPAC Name2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cncnc3)nc2)o1
InChIInChI=1S/C13H9F2N5O2/c14-11(15)13-20-19-12(22-13)8-1-2-9(18-3-8)6-21-10-4-16-7-17-5-10/h1-5,7,11H,6H2
InChIKeyXWZGARMTXHRFOX-UHFFFAOYSA-N
XLogP2.44
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290165) is 2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3cncnc3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is XWZGARMTXHRFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O2/c14-11(15)13-20-19-12(22-13)8-1-2-9(18-3-8)6-21-10-4-16-7-17-5-10/h1-5,7,11H,6H2.
What are the key properties of 2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 305.24 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).