3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole

C22H14F2N6O2 — CID 59604059

IUPAC3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1
InChIInChI=1S/C22H14F2N6O2/c1-31-18-7-6-14(23)12-15(18)21-26-22(32-28-21)19-20(13-8-10-25-11-9-13)30(29-27-19)17-5-3-2-4-16(17)24/h2-12H,1H3
InChIKeyYMYZIAHLCHWDAO-UHFFFAOYSA-N
MW432.39 g/mol
LogP4.33
Rot. Bonds5

About 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole

3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (PubChem CID 59604059) has the molecular formula C22H14F2N6O2 and a molecular weight of 432.39 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
PubChem CID59604059
Molecular FormulaC22H14F2N6O2
Molecular Weight432.39 g/mol
Exact Mass432.11
IUPAC Name3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
SMILESCOc1ccc(F)cc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1
InChIInChI=1S/C22H14F2N6O2/c1-31-18-7-6-14(23)12-15(18)21-26-22(32-28-21)19-20(13-8-10-25-11-9-13)30(29-27-19)17-5-3-2-4-16(17)24/h2-12H,1H3
InChIKeyYMYZIAHLCHWDAO-UHFFFAOYSA-N
XLogP4.33
TPSA91.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (CID 59604059) is 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is COc1ccc(F)cc1-c1noc(-c2nnn(-c3ccccc3F)c2-c2ccncc2)n1.
What is the InChIKey of 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is YMYZIAHLCHWDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N6O2/c1-31-18-7-6-14(23)12-15(18)21-26-22(32-28-21)19-20(13-8-10-25-11-9-13)30(29-27-19)17-5-3-2-4-16(17)24/h2-12H,1H3.
What are the key properties of 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 432.39 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-methoxyphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 59604059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).