5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole

C17H11F2N5O — CID 53170049

IUPAC5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
SMILESFc1cccc(Cn2cc(-c3noc(-c4cccc(F)c4)n3)nn2)c1
InChIInChI=1S/C17H11F2N5O/c18-13-5-1-3-11(7-13)9-24-10-15(21-23-24)16-20-17(25-22-16)12-4-2-6-14(19)8-12/h1-8,10H,9H2
InChIKeyLIPPYGVZUKBSOG-UHFFFAOYSA-N
MW339.31 g/mol
LogP3.32
Rot. Bonds4

About 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole

5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole (PubChem CID 53170049) has the molecular formula C17H11F2N5O and a molecular weight of 339.31 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
PubChem CID53170049
Molecular FormulaC17H11F2N5O
Molecular Weight339.31 g/mol
Exact Mass339.09
IUPAC Name5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole
SMILESFc1cccc(Cn2cc(-c3noc(-c4cccc(F)c4)n3)nn2)c1
InChIInChI=1S/C17H11F2N5O/c18-13-5-1-3-11(7-13)9-24-10-15(21-23-24)16-20-17(25-22-16)12-4-2-6-14(19)8-12/h1-8,10H,9H2
InChIKeyLIPPYGVZUKBSOG-UHFFFAOYSA-N
XLogP3.32
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.31
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-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-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole (CID 53170049) is 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole is Fc1cccc(Cn2cc(-c3noc(-c4cccc(F)c4)n3)nn2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
The InChIKey is LIPPYGVZUKBSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2N5O/c18-13-5-1-3-11(7-13)9-24-10-15(21-23-24)16-20-17(25-22-16)12-4-2-6-14(19)8-12/h1-8,10H,9H2.
What are the key properties of 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole?
5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole has a molecular weight of 339.31 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-[1-[(3-fluorophenyl)methyl]triazol-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53170049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).