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

C18H12F2N4O2 — CID 169290364

IUPAC2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cncc4ccccc34)nc2)o1
InChIInChI=1S/C18H12F2N4O2/c19-16(20)18-24-23-17(26-18)12-5-6-13(22-8-12)10-25-15-9-21-7-11-3-1-2-4-14(11)15/h1-9,16H,10H2
InChIKeyKUJIQFXZPYTFTK-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.20
Rot. Bonds5

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

2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 169290364) has the molecular formula C18H12F2N4O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID169290364
Molecular FormulaC18H12F2N4O2
Molecular Weight354.32 g/mol
Exact Mass354.09
IUPAC Name2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2ccc(COc3cncc4ccccc34)nc2)o1
InChIInChI=1S/C18H12F2N4O2/c19-16(20)18-24-23-17(26-18)12-5-6-13(22-8-12)10-25-15-9-21-7-11-3-1-2-4-14(11)15/h1-9,16H,10H2
InChIKeyKUJIQFXZPYTFTK-UHFFFAOYSA-N
XLogP4.20
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(difluoromethyl)-5-[6-[(3-methyl-4-pyridinyl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290152
2-(difluoromethyl)-5-[6-(quinolin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290136
2-(difluoromethyl)-5-[6-(pyrimidin-5-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290165
2-(difluoromethyl)-5-[6-[(2-methylpyrazol-3-yl)oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 169290154
2-(difluoromethyl)-5-[6-[[5-[2-(3-methylphenyl)ethynyl]-3-pyridinyl]oxymethyl]-3-pyridinyl]-1,3,4-oxadiazole
CID 178145906
2-(1-fluoroethyl)-5-[6-(pyridin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 170284045
2-[6-(1-adamantyloxymethyl)-3-pyridinyl]-5-(difluoromethyl)-1,3,4-oxadiazole
CID 169290345
6-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]-3-methyl-1,2-benzoxazole
CID 169290155
2-(1-fluoroethyl)-5-[6-(pyrazin-2-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 170284072
2-[6-[(2-chloro-4-fluorophenoxy)methyl]-3-pyridinyl]-5-(1-fluoroethyl)-1,3,4-oxadiazole
CID 170284032
2-(difluoromethyl)-5-[5-fluoro-6-(isoquinolin-8-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole
CID 169290183
1-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-4,2λ6,1-benzoxathiazine 2,2-dioxide
CID 176762461

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 169290364) is 2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is FC(F)c1nnc(-c2ccc(COc3cncc4ccccc34)nc2)o1.
What is the InChIKey of 2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is KUJIQFXZPYTFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4O2/c19-16(20)18-24-23-17(26-18)12-5-6-13(22-8-12)10-25-15-9-21-7-11-3-1-2-4-14(11)15/h1-9,16H,10H2.
What are the key properties of 2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 354.32 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[6-(isoquinolin-4-yloxymethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 169290364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).