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

C16H8ClFN4O3 — CID 10522433

IUPAC2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESO=c1nc2oc(-c3ccccc3Cl)nn2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H8ClFN4O3/c17-12-4-2-1-3-11(12)13-20-22-15(25-13)19-14(23)21(16(22)24)10-7-5-9(18)6-8-10/h1-8H
InChIKeyIVAMIEAOEINDSX-UHFFFAOYSA-N
MW358.72 g/mol
LogP2.29
Rot. Bonds2

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

2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (PubChem CID 10522433) has the molecular formula C16H8ClFN4O3 and a molecular weight of 358.72 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
PubChem CID10522433
Molecular FormulaC16H8ClFN4O3
Molecular Weight358.72 g/mol
Exact Mass358.03
IUPAC Name2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESO=c1nc2oc(-c3ccccc3Cl)nn2c(=O)n1-c1ccc(F)cc1
InChIInChI=1S/C16H8ClFN4O3/c17-12-4-2-1-3-11(12)13-20-22-15(25-13)19-14(23)21(16(22)24)10-7-5-9(18)6-8-10/h1-8H
InChIKeyIVAMIEAOEINDSX-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-(2-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

2-(2-chlorophenyl)-6-(4-fluorophenyl)-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10809442
2-(4-fluorophenyl)chromeno[2,3-c]pyrazol-3-one
CID 50784663
3-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2183774
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
(5E)-5-benzylidene-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-3-(4-fluorophenyl)imidazol-4-one
CID 35369958
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 78830350
(5E)-5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-1,3-thiazolidine-2,4-dione
CID 18840354
5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
CID 166314309
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-difluorophenyl)pyridazin-4-one
CID 53135324
5-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2923362
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-fluoroaniline
CID 110652178
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597311

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The IUPAC name of 2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (CID 10522433) is 2-(2-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-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The canonical SMILES for 2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is O=c1nc2oc(-c3ccccc3Cl)nn2c(=O)n1-c1ccc(F)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The InChIKey is IVAMIEAOEINDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClFN4O3/c17-12-4-2-1-3-11(12)13-20-22-15(25-13)19-14(23)21(16(22)24)10-7-5-9(18)6-8-10/h1-8H.
What are the key properties of 2-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
2-(2-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-(2-chlorophenyl)-6-(4-fluorophenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is sourced from PubChem (CID 10522433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).