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

C20H18N4O6 — CID 3087903

IUPAC2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESCCOc1c(OC)cc(-c2nn3c(=O)n(-c4ccccc4)c(=O)nc3o2)cc1OC
InChIInChI=1S/C20H18N4O6/c1-4-29-16-14(27-2)10-12(11-15(16)28-3)17-22-24-19(30-17)21-18(25)23(20(24)26)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKeyOSNUGSPTTQMATB-UHFFFAOYSA-N
MW410.39 g/mol
LogP1.92
Rot. Bonds6

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

2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (PubChem CID 3087903) has the molecular formula C20H18N4O6 and a molecular weight of 410.39 g/mol. Its IUPAC name is 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.

Molecular Properties

Compound Name2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
PubChem CID3087903
Molecular FormulaC20H18N4O6
Molecular Weight410.39 g/mol
Exact Mass410.12
IUPAC Name2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione
SMILESCCOc1c(OC)cc(-c2nn3c(=O)n(-c4ccccc4)c(=O)nc3o2)cc1OC
InChIInChI=1S/C20H18N4O6/c1-4-29-16-14(27-2)10-12(11-15(16)28-3)17-22-24-19(30-17)21-18(25)23(20(24)26)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3
InChIKeyOSNUGSPTTQMATB-UHFFFAOYSA-N
XLogP1.92
TPSA110.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-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

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The IUPAC name of 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione (CID 3087903) is 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione.
What is the SMILES notation for 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The canonical SMILES for 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is CCOc1c(OC)cc(-c2nn3c(=O)n(-c4ccccc4)c(=O)nc3o2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
The InChIKey is OSNUGSPTTQMATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O6/c1-4-29-16-14(27-2)10-12(11-15(16)28-3)17-22-24-19(30-17)21-18(25)23(20(24)26)13-8-6-5-7-9-13/h5-11H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione?
2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione has a molecular weight of 410.39 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenyl-[1,3,4]oxadiazolo[3,2-a][1,3,5]triazine-5,7-dione is sourced from PubChem (CID 3087903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).