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

C21H13FN6O — CID 59604080

IUPAC5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccn1
InChIInChI=1S/C21H13FN6O/c22-15-10-4-5-12-17(15)28-19(16-11-6-7-13-23-16)18(25-27-28)21-24-20(26-29-21)14-8-2-1-3-9-14/h1-13H
InChIKeyVRBOYCCQHSHLPB-UHFFFAOYSA-N
MW384.37 g/mol
LogP4.19
Rot. Bonds4

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

5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 59604080) has the molecular formula C21H13FN6O and a molecular weight of 384.37 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID59604080
Molecular FormulaC21H13FN6O
Molecular Weight384.37 g/mol
Exact Mass384.11
IUPAC Name5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESFc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccn1
InChIInChI=1S/C21H13FN6O/c22-15-10-4-5-12-17(15)28-19(16-11-6-7-13-23-16)18(25-27-28)21-24-20(26-29-21)14-8-2-1-3-9-14/h1-13H
InChIKeyVRBOYCCQHSHLPB-UHFFFAOYSA-N
XLogP4.19
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-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 5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 59604080) is 5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is Fc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1-c1ccccn1.
What is the InChIKey of 5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is VRBOYCCQHSHLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN6O/c22-15-10-4-5-12-17(15)28-19(16-11-6-7-13-23-16)18(25-27-28)21-24-20(26-29-21)14-8-2-1-3-9-14/h1-13H.
What are the key properties of 5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(2-fluorophenyl)-5-pyridin-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 384.37 g/mol, XLogP of 4.19, 4 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-2-yltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 59604080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).