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

C13H8F3N5O2 — CID 169290243

IUPAC2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cncnc1OCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C13H8F3N5O2/c14-9-4-17-6-19-12(9)22-5-8-2-1-7(3-18-8)11-20-21-13(23-11)10(15)16/h1-4,6,10H,5H2
InChIKeyXPTUFJLKQOUBQD-UHFFFAOYSA-N
MW323.23 g/mol
LogP2.58
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290243) has the molecular formula C13H8F3N5O2 and a molecular weight of 323.23 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290243
Molecular FormulaC13H8F3N5O2
Molecular Weight323.23 g/mol
Exact Mass323.06
IUPAC Name2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cncnc1OCc1ccc(-c2nnc(C(F)F)o2)cn1
InChIInChI=1S/C13H8F3N5O2/c14-9-4-17-6-19-12(9)22-5-8-2-1-7(3-18-8)11-20-21-13(23-11)10(15)16/h1-4,6,10H,5H2
InChIKeyXPTUFJLKQOUBQD-UHFFFAOYSA-N
XLogP2.58
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-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-[6-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235900
2-(Difluoromethyl)-5-[5-fluoro-6-[(4-fluorophenoxy)methyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169235925
2-[6-[(5-Cyclopropyl-2-pyridinyl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290114
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-[6-[(6-Cyclopropylpyridazin-3-yl)oxymethyl]-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290137
2-(Difluoromethyl)-5-[6-[(2-methylquinazolin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290139
2-(Difluoromethyl)-5-[6-[(1-ethylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290144
2-(Difluoromethyl)-5-[6-[(1-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290147

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole (CID 169290243) is 2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is Fc1cncnc1OCc1ccc(-c2nnc(C(F)F)o2)cn1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is XPTUFJLKQOUBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N5O2/c14-9-4-17-6-19-12(9)22-5-8-2-1-7(3-18-8)11-20-21-13(23-11)10(15)16/h1-4,6,10H,5H2.
What are the key properties of 2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 323.23 g/mol, XLogP of 2.58, 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-[(5-fluoropyrimidin-4-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).