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

C17H11FN4O4 — CID 10713089

IUPAC6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESCOc1ccccc1-c1nn2c(=O)n(-c3ccc(F)cc3)c(=O)nc2o1
InChIInChI=1S/C17H11FN4O4/c1-25-13-5-3-2-4-12(13)14-20-22-16(26-14)19-15(23)21(17(22)24)11-8-6-10(18)7-9-11/h2-9H,1H3
InChIKeyIWSZUTSDTMWBDA-UHFFFAOYSA-N
MW354.30 g/mol
LogP1.65
Rot. Bonds3

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

6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (PubChem CID 10713089) has the molecular formula C17H11FN4O4 and a molecular weight of 354.30 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
PubChem CID10713089
Molecular FormulaC17H11FN4O4
Molecular Weight354.30 g/mol
Exact Mass354.08
IUPAC Name6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESCOc1ccccc1-c1nn2c(=O)n(-c3ccc(F)cc3)c(=O)nc2o1
InChIInChI=1S/C17H11FN4O4/c1-25-13-5-3-2-4-12(13)14-20-22-16(26-14)19-15(23)21(17(22)24)11-8-6-10(18)7-9-11/h2-9H,1H3
InChIKeyIWSZUTSDTMWBDA-UHFFFAOYSA-N
XLogP1.65
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

5H-1,3,4-Oxadiazolo(3,2-a)(1,3,5)triazine-5,7(6H)-dione, 6-phenyl-2-(3,4,5-trimethoxyphenyl)-
CID 3087965
4-(4-Fluorophenyl)-2-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-one
CID 16097266
6-(2,6-Difluorophenyl)-3-(4-methoxyphenyl)-1,3,5-oxadiazine-2,4-dione
CID 21323820
1-(Methoxymethyl)-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-dione
CID 139603427
4-(3-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-one
CID 142737407
4-(2-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-one
CID 142737412
4-(4-fluorophenyl)-3-[(2-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 142737418
6-(4-Fluorophenyl)-2-(4-methoxyphenyl)-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10547117
6-(4-Fluorophenyl)-2-(2-methoxyphenyl)-5-sulfanylidene-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazin-7-one
CID 10595326
6-(4-Fluorophenyl)-2-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10615943
6-(4-Fluorophenyl)-2-(4-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
CID 10713090
5-(3-fluoro-4-methoxyanilino)-7-phenyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94674166

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The IUPAC name of 6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (CID 10713089) is 6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.
What is the SMILES notation for 6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The canonical SMILES for 6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is COc1ccccc1-c1nn2c(=O)n(-c3ccc(F)cc3)c(=O)nc2o1.
What is the InChIKey of 6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The InChIKey is IWSZUTSDTMWBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O4/c1-25-13-5-3-2-4-12(13)14-20-22-16(26-14)19-15(23)21(17(22)24)11-8-6-10(18)7-9-11/h2-9H,1H3.
What are the key properties of 6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione has a molecular weight of 354.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-(2-methoxyphenyl)-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is sourced from PubChem (CID 10713089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).