2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol

C23H17FN6O2 — CID 59604068

IUPAC2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESOCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C23H17FN6O2/c24-18-3-1-2-4-19(18)30-21(16-9-12-25-13-10-16)20(27-29-30)23-26-22(28-32-23)17-7-5-15(6-8-17)11-14-31/h1-10,12-13,31H,11,14H2
InChIKeyUIJKZUSAPUPLNZ-UHFFFAOYSA-N
MW428.43 g/mol
LogP3.72
Rot. Bonds6

About 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol

2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol (PubChem CID 59604068) has the molecular formula C23H17FN6O2 and a molecular weight of 428.43 g/mol. Its IUPAC name is 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol
PubChem CID59604068
Molecular FormulaC23H17FN6O2
Molecular Weight428.43 g/mol
Exact Mass428.14
IUPAC Name2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol
SMILESOCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C23H17FN6O2/c24-18-3-1-2-4-19(18)30-21(16-9-12-25-13-10-16)20(27-29-30)23-26-22(28-32-23)17-7-5-15(6-8-17)11-14-31/h1-10,12-13,31H,11,14H2
InChIKeyUIJKZUSAPUPLNZ-UHFFFAOYSA-N
XLogP3.72
TPSA102.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol (CID 59604068) is 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol is OCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.
What is the InChIKey of 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
The InChIKey is UIJKZUSAPUPLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O2/c24-18-3-1-2-4-19(18)30-21(16-9-12-25-13-10-16)20(27-29-30)23-26-22(28-32-23)17-7-5-15(6-8-17)11-14-31/h1-10,12-13,31H,11,14H2.
What are the key properties of 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol?
2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol has a molecular weight of 428.43 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]ethanol is sourced from PubChem (CID 59604068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).