6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one

C17H17N3O2 — CID 175828516

IUPAC6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one
SMILESO=C1c2cnc(-c3ccccc3)cc2OCC2CNCCN12
InChIInChI=1S/C17H17N3O2/c21-17-14-10-19-15(12-4-2-1-3-5-12)8-16(14)22-11-13-9-18-6-7-20(13)17/h1-5,8,10,13,18H,6-7,9,11H2
InChIKeyCXOZKOKTGBLDFT-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.55
Rot. Bonds1

About 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one

6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one (PubChem CID 175828516) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one.

Molecular Properties

Compound Name6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one
PubChem CID175828516
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one
SMILESO=C1c2cnc(-c3ccccc3)cc2OCC2CNCCN12
InChIInChI=1S/C17H17N3O2/c21-17-14-10-19-15(12-4-2-1-3-5-12)8-16(14)22-11-13-9-18-6-7-20(13)17/h1-5,8,10,13,18H,6-7,9,11H2
InChIKeyCXOZKOKTGBLDFT-UHFFFAOYSA-N
XLogP1.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one 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 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one?
The IUPAC name of 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one (CID 175828516) is 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one.
What is the SMILES notation for 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one?
The canonical SMILES for 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one is O=C1c2cnc(-c3ccccc3)cc2OCC2CNCCN12.
What is the InChIKey of 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one?
The InChIKey is CXOZKOKTGBLDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-17-14-10-19-15(12-4-2-1-3-5-12)8-16(14)22-11-13-9-18-6-7-20(13)17/h1-5,8,10,13,18H,6-7,9,11H2.
What are the key properties of 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one?
6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one has a molecular weight of 295.34 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-9-oxa-1,5,13-triazatricyclo[9.4.0.03,8]pentadeca-3,5,7-trien-2-one is sourced from PubChem (CID 175828516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).