6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione

C16H9FN4O3 — CID 10615943

IUPAC6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESO=c1nc2oc(-c3ccccc3)nn2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H9FN4O3/c17-11-6-8-12(9-7-11)20-14(22)18-15-21(16(20)23)19-13(24-15)10-4-2-1-3-5-10/h1-9H
InChIKeyALETVBWRLBIVMP-UHFFFAOYSA-N
MW324.27 g/mol
LogP1.64
Rot. Bonds2

About 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione

6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (PubChem CID 10615943) has the molecular formula C16H9FN4O3 and a molecular weight of 324.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
PubChem CID10615943
Molecular FormulaC16H9FN4O3
Molecular Weight324.27 g/mol
Exact Mass324.07
IUPAC Name6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESO=c1nc2oc(-c3ccccc3)nn2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H9FN4O3/c17-11-6-8-12(9-7-11)20-14(22)18-15-21(16(20)23)19-13(24-15)10-4-2-1-3-5-10/h1-9H
InChIKeyALETVBWRLBIVMP-UHFFFAOYSA-N
XLogP1.64
TPSA82.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione with MolForge

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

Launch Full Analysis

Related Compounds

6-(2,6-Difluorophenyl)-3-[4-(trifluoromethyl)phenyl]-1,3,5-oxadiazine-2,4-dione
CID 20449496
3-(4-Fluorophenyl)-6-(2-methylphenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323793
6-(2,6-Difluorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
CID 21323794
6-(2,6-Difluorophenyl)-3-(3-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323798
6-(2,6-Difluorophenyl)-3-(2-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323807
6-(3,5-Dimethylphenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323818
6-(2,6-Difluorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323829
6-(2,6-Difluorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323830
2-(2-Chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10522433
6-(4-Fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10713089
6-(4-Fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10713090
2-(4-Chlorophenyl)-6-(4-fluorophenyl)-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10738209

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The IUPAC name of 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (CID 10615943) is 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The canonical SMILES for 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is O=c1nc2oc(-c3ccccc3)nn2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The InChIKey is ALETVBWRLBIVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FN4O3/c17-11-6-8-12(9-7-11)20-14(22)18-15-21(16(20)23)19-13(24-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione has a molecular weight of 324.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is sourced from PubChem (CID 10615943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).