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

C13H9F2N5O2 — CID 169290166

IUPAC2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(COc3cccnc3)nc2)o1
InChIInChI=1S/C13H9F2N5O2/c14-11(15)13-20-19-12(22-13)8-4-17-10(18-5-8)7-21-9-2-1-3-16-6-9/h1-6,11H,7H2
InChIKeyYNOXMDQWSIIADH-UHFFFAOYSA-N
MW305.24 g/mol
LogP2.44
Rot. Bonds5

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

2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole (PubChem CID 169290166) has the molecular formula C13H9F2N5O2 and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
PubChem CID169290166
Molecular FormulaC13H9F2N5O2
Molecular Weight305.24 g/mol
Exact Mass305.07
IUPAC Name2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2cnc(COc3cccnc3)nc2)o1
InChIInChI=1S/C13H9F2N5O2/c14-11(15)13-20-19-12(22-13)8-4-17-10(18-5-8)7-21-9-2-1-3-16-6-9/h1-6,11H,7H2
InChIKeyYNOXMDQWSIIADH-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

2-(Difluoromethyl)-5-[2-[(4-fluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169235935
2-(Difluoromethyl)-5-[2-(quinoxalin-5-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290121
2-(Difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(Difluoromethyl)-5-[2-(quinazolin-8-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290180
2-(Difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290225
2-(Difluoromethyl)-5-[6-(pyrimidin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290227
2-(Difluoromethyl)-5-[2-(isoquinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290238
2-(Difluoromethyl)-5-[2-(quinolin-6-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290260
2-(Difluoromethyl)-5-[6-[(5-fluoro-2-methylpyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290261
4-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile
CID 169290264
3-[[5-[5-(Difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-2-yl]methoxy]benzonitrile
CID 169290265
2-(Difluoromethyl)-5-[2-[(3,4-difluorophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290305

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole (CID 169290166) is 2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2cnc(COc3cccnc3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
The InChIKey is YNOXMDQWSIIADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N5O2/c14-11(15)13-20-19-12(22-13)8-4-17-10(18-5-8)7-21-9-2-1-3-16-6-9/h1-6,11H,7H2.
What are the key properties of 2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-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-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).