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

C14H9F3N4O2 — CID 169290300

IUPAC2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1COc1cccnc1
InChIInChI=1S/C14H9F3N4O2/c15-10-4-8(13-20-21-14(23-13)12(16)17)5-19-11(10)7-22-9-2-1-3-18-6-9/h1-6,12H,7H2
InChIKeyCITARTOMGNSCJH-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.18
Rot. Bonds5

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

2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290300) has the molecular formula C14H9F3N4O2 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290300
Molecular FormulaC14H9F3N4O2
Molecular Weight322.25 g/mol
Exact Mass322.07
IUPAC Name2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFc1cc(-c2nnc(C(F)F)o2)cnc1COc1cccnc1
InChIInChI=1S/C14H9F3N4O2/c15-10-4-8(13-20-21-14(23-13)12(16)17)5-19-11(10)7-22-9-2-1-3-18-6-9/h1-6,12H,7H2
InChIKeyCITARTOMGNSCJH-UHFFFAOYSA-N
XLogP3.18
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290183
2-(difluoromethyl)-5-[5-fluoro-6-(imidazo[1,2-a]pyridin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169235861
5-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3-fluoro-2-pyridinyl]methoxy]quinoxalin-2-amine
CID 169290115
6-[[3-fluoro-5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 170284167
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(difluoromethyl)-5-[2-[(3-isocyanophenoxy)methyl]pyrimidin-5-yl]-1,3,4-oxadiazole
CID 169290195
2-(difluoromethyl)-5-[3-fluoro-4-[[3-[2-(3-methylphenyl)ethynyl]phenoxy]methyl]phenyl]-1,3,4-oxadiazole
CID 178145929
2-(difluoromethyl)-5-[6-[[5-[2-(3-methylphenyl)ethynyl]-3-pyridinyl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 178145906
2-[6-[[4-[4-(azetidin-1-ylmethyl)phenyl]triazol-1-yl]methyl]-5-fluoro-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 162443058
2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(3-fluorophenyl)pyridine-3-sulfinamide
CID 145238907
2-(difluoromethyl)-5-(3-fluoro-4-methylphenyl)-1,3,4-oxadiazole
CID 126507083

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290300) is 2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is Fc1cc(-c2nnc(C(F)F)o2)cnc1COc1cccnc1.
What is the InChIKey of 2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is CITARTOMGNSCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4O2/c15-10-4-8(13-20-21-14(23-13)12(16)17)5-19-11(10)7-22-9-2-1-3-18-6-9/h1-6,12H,7H2.
What are the key properties of 2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 322.25 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[5-fluoro-6-(pyridin-3-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).