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

C24H16FN9O — CID 59604182

IUPAC5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cncn4)cc3)no2)c1-c1ccncc1
InChIInChI=1S/C24H16FN9O/c25-19-3-1-2-4-20(19)34-22(17-9-11-26-12-10-17)21(30-32-34)24-29-23(31-35-24)18-7-5-16(6-8-18)13-33-15-27-14-28-33/h1-12,14-15H,13H2
InChIKeyDRSZYSSZTFCPGM-UHFFFAOYSA-N
MW465.45 g/mol
LogP3.83
Rot. Bonds6

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

5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 59604182) has the molecular formula C24H16FN9O and a molecular weight of 465.45 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
PubChem CID59604182
Molecular FormulaC24H16FN9O
Molecular Weight465.45 g/mol
Exact Mass465.15
IUPAC Name5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cncn4)cc3)no2)c1-c1ccncc1
InChIInChI=1S/C24H16FN9O/c25-19-3-1-2-4-20(19)34-22(17-9-11-26-12-10-17)21(30-32-34)24-29-23(31-35-24)18-7-5-16(6-8-18)13-33-15-27-14-28-33/h1-12,14-15H,13H2
InChIKeyDRSZYSSZTFCPGM-UHFFFAOYSA-N
XLogP3.83
TPSA113.23 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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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-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole (CID 59604182) is 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is Fc1ccccc1-n1nnc(-c2nc(-c3ccc(Cn4cncn4)cc3)no2)c1-c1ccncc1.
What is the InChIKey of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is DRSZYSSZTFCPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN9O/c25-19-3-1-2-4-20(19)34-22(17-9-11-26-12-10-17)21(30-32-34)24-29-23(31-35-24)18-7-5-16(6-8-18)13-33-15-27-14-28-33/h1-12,14-15H,13H2.
What are the key properties of 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 465.45 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-3-[4-(1,2,4-triazol-1-ylmethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 59604182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).