3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide

C17H11FN6O2 — CID 53170273

IUPAC3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1nc(-c2cn(-c3cccc(F)c3)nn2)no1
InChIInChI=1S/C17H11FN6O2/c18-11-5-4-8-13(9-11)24-10-14(21-23-24)15-20-17(26-22-15)16(25)19-12-6-2-1-3-7-12/h1-10H,(H,19,25)
InChIKeyUHBFZEDEQVVPHI-UHFFFAOYSA-N
MW350.31 g/mol
LogP2.71
Rot. Bonds4

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

3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53170273) has the molecular formula C17H11FN6O2 and a molecular weight of 350.31 g/mol. Its IUPAC name is 3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID53170273
Molecular FormulaC17H11FN6O2
Molecular Weight350.31 g/mol
Exact Mass350.09
IUPAC Name3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(Nc1ccccc1)c1nc(-c2cn(-c3cccc(F)c3)nn2)no1
InChIInChI=1S/C17H11FN6O2/c18-11-5-4-8-13(9-11)24-10-14(21-23-24)15-20-17(26-22-15)16(25)19-12-6-2-1-3-7-12/h1-10H,(H,19,25)
InChIKeyUHBFZEDEQVVPHI-UHFFFAOYSA-N
XLogP2.71
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide 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-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide (CID 53170273) is 3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide is O=C(Nc1ccccc1)c1nc(-c2cn(-c3cccc(F)c3)nn2)no1.
What is the InChIKey of 3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is UHBFZEDEQVVPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN6O2/c18-11-5-4-8-13(9-11)24-10-14(21-23-24)15-20-17(26-22-15)16(25)19-12-6-2-1-3-7-12/h1-10H,(H,19,25).
What are the key properties of 3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide?
3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 350.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-fluorophenyl)triazol-4-yl]-N-phenyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53170273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).