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

C13H9F2N5O2 — CID 169290178

IUPAC2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ncccn3)nc2)o1
InChIInChI=1S/C13H9F2N5O2/c14-10(15)12-20-19-11(22-12)8-2-3-9(18-6-8)7-21-13-16-4-1-5-17-13/h1-6,10H,7H2
InChIKeyKGVYWIBINRNKPJ-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.44
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290178) has the molecular formula C13H9F2N5O2 and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290178
Molecular FormulaC13H9F2N5O2
Molecular Weight305.24 g/mol
Exact Mass305.07
IUPAC Name2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3ncccn3)nc2)o1
InChIInChI=1S/C13H9F2N5O2/c14-10(15)12-20-19-11(22-12)8-2-3-9(18-6-8)7-21-13-16-4-1-5-17-13/h1-6,10H,7H2
InChIKeyKGVYWIBINRNKPJ-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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Related Compounds

N-(3-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)phenyl)morpholine-4-carboxamide
CID 162722023
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-pyrazol-4-yl)pyridin-2-amine
CID 162722416
N-(5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-yl)-2,2-difluoroacetamide
CID 162722574
5-(1-((5-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)methyl)-1H-imidazol-4-yl)pyridin-2-amine
CID 162722708
2-(Difluoromethyl)-5-[6-(pyridin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235825
2-(Difluoromethyl)-5-[6-[(4-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290135
2-(Difluoromethyl)-5-[6-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290138
2-(Difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290139
2-(Difluoromethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290150
2-(Difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
2-(Difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(Difluoromethyl)-5-[6-[(6-methyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290192

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290178) is 2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3ncccn3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is KGVYWIBINRNKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O2/c14-10(15)12-20-19-11(22-12)8-2-3-9(18-6-8)7-21-13-16-4-1-5-17-13/h1-6,10H,7H2.
What are the key properties of 2-(difluoromethyl)-5-[6-(pyrimidin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-(pyrimidin-2-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-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).