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

C23H17FN6O — CID 59604089

IUPAC3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C23H17FN6O/c1-2-15-7-9-17(10-8-15)22-26-23(31-28-22)20-21(16-11-13-25-14-12-16)30(29-27-20)19-6-4-3-5-18(19)24/h3-14H,2H2,1H3
InChIKeyDZCWSOOKBXBTOQ-UHFFFAOYSA-N
MW412.43 g/mol
LogP4.75
Rot. Bonds5

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

3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (PubChem CID 59604089) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
PubChem CID59604089
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole
SMILESCCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1
InChIInChI=1S/C23H17FN6O/c1-2-15-7-9-17(10-8-15)22-26-23(31-28-22)20-21(16-11-13-25-14-12-16)30(29-27-20)19-6-4-3-5-18(19)24/h3-14H,2H2,1H3
InChIKeyDZCWSOOKBXBTOQ-UHFFFAOYSA-N
XLogP4.75
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole (CID 59604089) is 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is CCc1ccc(-c2noc(-c3nnn(-c4ccccc4F)c3-c3ccncc3)n2)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is DZCWSOOKBXBTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6O/c1-2-15-7-9-17(10-8-15)22-26-23(31-28-22)20-21(16-11-13-25-14-12-16)30(29-27-20)19-6-4-3-5-18(19)24/h3-14H,2H2,1H3.
What are the key properties of 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole?
3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 412.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-5-[1-(2-fluorophenyl)-5-pyridin-4-yltriazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 59604089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).