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

C14H8F5N5O2 — CID 169290225

IUPAC2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cnc(C(F)(F)F)nc3)nc2)o1
InChIInChI=1S/C14H8F5N5O2/c15-10(16)12-24-23-11(26-12)7-1-2-8(20-3-7)6-25-9-4-21-13(22-5-9)14(17,18)19/h1-5,10H,6H2
InChIKeyIJNLJLDJRHRXDB-UHFFFAOYSA-N
MW373.24 g/mol
LogP3.46
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290225) has the molecular formula C14H8F5N5O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290225
Molecular FormulaC14H8F5N5O2
Molecular Weight373.24 g/mol
Exact Mass373.06
IUPAC Name2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cnc(C(F)(F)F)nc3)nc2)o1
InChIInChI=1S/C14H8F5N5O2/c15-10(16)12-24-23-11(26-12)7-1-2-8(20-3-7)6-25-9-4-21-13(22-5-9)14(17,18)19/h1-5,10H,6H2
InChIKeyIJNLJLDJRHRXDB-UHFFFAOYSA-N
XLogP3.46
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Difluoromethyl)-5-[6-[(5-fluoro-3-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235773
2-(Difluoromethyl)-5-[6-(pyridin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235825
2-(Difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861
2-(Difluoromethyl)-5-[5-fluoro-6-(quinazolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290133
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-(quinazolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290157
2-(Difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(Difluoromethyl)-5-[2-(pyridin-3-yloxymethyl)pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290166

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290225) is 2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3cnc(C(F)(F)F)nc3)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is IJNLJLDJRHRXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N5O2/c15-10(16)12-24-23-11(26-12)7-1-2-8(20-3-7)6-25-9-4-21-13(22-5-9)14(17,18)19/h1-5,10H,6H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 373.24 g/mol, XLogP of 3.46, 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-[[2-(trifluoromethyl)pyrimidin-5-yl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).