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

C16H8ClFN4O3 — CID 10760891

IUPAC2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESO=c1nc2oc(-c3ccc(Cl)cc3)nn2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H8ClFN4O3/c17-10-3-1-9(2-4-10)13-20-22-15(25-13)19-14(23)21(16(22)24)12-7-5-11(18)6-8-12/h1-8H
InChIKeyUUIQDTHMOVNFEF-UHFFFAOYSA-N
MW358.72 g/mol
LogP2.29
Rot. Bonds2

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

2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (PubChem CID 10760891) has the molecular formula C16H8ClFN4O3 and a molecular weight of 358.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
PubChem CID10760891
Molecular FormulaC16H8ClFN4O3
Molecular Weight358.72 g/mol
Exact Mass358.03
IUPAC Name2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESO=c1nc2oc(-c3ccc(Cl)cc3)nn2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H8ClFN4O3/c17-10-3-1-9(2-4-10)13-20-22-15(25-13)19-14(23)21(16(22)24)12-7-5-11(18)6-8-12/h1-8H
InChIKeyUUIQDTHMOVNFEF-UHFFFAOYSA-N
XLogP2.29
TPSA82.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.72
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(3-Chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 20449498
6-(2-Chlorophenyl)-3-(4-fluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323805
3-(4-Chlorophenyl)-6-(2,6-difluorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323809
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-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10615943
2-(4-Chlorophenyl)-6-(4-fluorophenyl)-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10738209
6-(4-Fluorophenyl)-2-phenyl-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10807056
2-(2-Chlorophenyl)-6-(4-fluorophenyl)-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10809442
6-(4-Chlorophenyl)-3-phenyl-1,3,5-oxadiazine-2,4-dione
CID 21323801
3,6-Bis(4-chlorophenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323812
6-(4-Chlorophenyl)-3-(4-methylphenyl)-1,3,5-oxadiazine-2,4-dione
CID 154306811
5-(4-chlorophenyl)-2-oxo-N-phenyl-1,3,4-oxadiazole-3-carboxamide
CID 10663188

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The IUPAC name of 2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (CID 10760891) is 2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The canonical SMILES for 2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is O=c1nc2oc(-c3ccc(Cl)cc3)nn2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The InChIKey is UUIQDTHMOVNFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN4O3/c17-10-3-1-9(2-4-10)13-20-22-15(25-13)19-14(23)21(16(22)24)12-7-5-11(18)6-8-12/h1-8H.
What are the key properties of 2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione has a molecular weight of 358.72 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is sourced from PubChem (CID 10760891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).