5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole

C15H16N6O — CID 52916579

IUPAC5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cn(C4CCNCC4)nn3)no2)cc1
InChIInChI=1S/C15H16N6O/c1-2-4-11(5-3-1)15-17-14(19-22-15)13-10-21(20-18-13)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2
InChIKeyFNFFIMOIMFBQED-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.92
Rot. Bonds3

About 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole

5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole (PubChem CID 52916579) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole
PubChem CID52916579
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(-c3cn(C4CCNCC4)nn3)no2)cc1
InChIInChI=1S/C15H16N6O/c1-2-4-11(5-3-1)15-17-14(19-22-15)13-10-21(20-18-13)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2
InChIKeyFNFFIMOIMFBQED-UHFFFAOYSA-N
XLogP1.92
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-phenyl-3-(1-piperidin-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 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole (CID 52916579) is 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole is c1ccc(-c2nc(-c3cn(C4CCNCC4)nn3)no2)cc1.
What is the InChIKey of 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole?
The InChIKey is FNFFIMOIMFBQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-2-4-11(5-3-1)15-17-14(19-22-15)13-10-21(20-18-13)12-6-8-16-9-7-12/h1-5,10,12,16H,6-9H2.
What are the key properties of 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole?
5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1-piperidin-4-yltriazol-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 52916579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).