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

C24H19FN6O — CID 59604067

IUPAC5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C24H19FN6O/c1-2-5-16-8-10-18(11-9-16)23-27-24(32-29-23)21-22(17-12-14-26-15-13-17)31(30-28-21)20-7-4-3-6-19(20)25/h3-4,6-15H,2,5H2,1H3
InChIKeyZPSIKKZLQSQETB-UHFFFAOYSA-N
MW426.46 g/mol
LogP5.14
Rot. Bonds6

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

5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole (PubChem CID 59604067) has the molecular formula C24H19FN6O and a molecular weight of 426.46 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole
PubChem CID59604067
Molecular FormulaC24H19FN6O
Molecular Weight426.46 g/mol
Exact Mass426.16
IUPAC Name5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole
SMILESCCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C24H19FN6O/c1-2-5-16-8-10-18(11-9-16)23-27-24(32-29-23)21-22(17-12-14-26-15-13-17)31(30-28-21)20-7-4-3-6-19(20)25/h3-4,6-15H,2,5H2,1H3
InChIKeyZPSIKKZLQSQETB-UHFFFAOYSA-N
XLogP5.14
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.46
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole (CID 59604067) is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole is CCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.
What is the InChIKey of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole?
The InChIKey is ZPSIKKZLQSQETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O/c1-2-5-16-8-10-18(11-9-16)23-27-24(32-29-23)21-22(17-12-14-26-15-13-17)31(30-28-21)20-7-4-3-6-19(20)25/h3-4,6-15H,2,5H2,1H3.
What are the key properties of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole has a molecular weight of 426.46 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59604067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).