2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile

C17H12F2N4O2 — CID 169235929

IUPAC2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
SMILESCC(F)c1nnc(-c2ccc(COc3ccc(F)c(C#N)c3)nc2)o1
InChIInChI=1S/C17H12F2N4O2/c1-10(18)16-22-23-17(25-16)11-2-3-13(21-8-11)9-24-14-4-5-15(19)12(6-14)7-20/h2-6,8,10H,9H2,1H3
InChIKeyUXVWOICPTLWFKL-UHFFFAOYSA-N
MW342.31 g/mol
LogP3.75
Rot. Bonds5

About 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile

2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile (PubChem CID 169235929) has the molecular formula C17H12F2N4O2 and a molecular weight of 342.31 g/mol. Its IUPAC name is 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
PubChem CID169235929
Molecular FormulaC17H12F2N4O2
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile
SMILESCC(F)c1nnc(-c2ccc(COc3ccc(F)c(C#N)c3)nc2)o1
InChIInChI=1S/C17H12F2N4O2/c1-10(18)16-22-23-17(25-16)11-2-3-13(21-8-11)9-24-14-4-5-15(19)12(6-14)7-20/h2-6,8,10H,9H2,1H3
InChIKeyUXVWOICPTLWFKL-UHFFFAOYSA-N
XLogP3.75
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile?
The IUPAC name of 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile (CID 169235929) is 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile is CC(F)c1nnc(-c2ccc(COc3ccc(F)c(C#N)c3)nc2)o1.
What is the InChIKey of 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile?
The InChIKey is UXVWOICPTLWFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O2/c1-10(18)16-22-23-17(25-16)11-2-3-13(21-8-11)9-24-14-4-5-15(19)12(6-14)7-20/h2-6,8,10H,9H2,1H3.
What are the key properties of 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile?
2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile has a molecular weight of 342.31 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[5-[5-(1-fluoroethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methoxy]benzonitrile is sourced from PubChem (CID 169235929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).