5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione

C14H13N3O3 — CID 2755636

IUPAC5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione
SMILESO=c1n(-c2ccccc2)c(=O)n2n1C1OC3CCC1C32
InChIInChI=1S/C14H13N3O3/c18-13-15(8-4-2-1-3-5-8)14(19)17-12-9-6-7-10(20-12)11(9)16(13)17/h1-5,9-12H,6-7H2
InChIKeyIEWWQULPTGLREI-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.66
Rot. Bonds1

About 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione

5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione (PubChem CID 2755636) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione.

Molecular Properties

Compound Name5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione
PubChem CID2755636
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione
SMILESO=c1n(-c2ccccc2)c(=O)n2n1C1OC3CCC1C32
InChIInChI=1S/C14H13N3O3/c18-13-15(8-4-2-1-3-5-8)14(19)17-12-9-6-7-10(20-12)11(9)16(13)17/h1-5,9-12H,6-7H2
InChIKeyIEWWQULPTGLREI-UHFFFAOYSA-N
XLogP0.66
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-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 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione?
The IUPAC name of 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione (CID 2755636) is 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione.
What is the SMILES notation for 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione?
The canonical SMILES for 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione is O=c1n(-c2ccccc2)c(=O)n2n1C1OC3CCC1C32.
What is the InChIKey of 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione?
The InChIKey is IEWWQULPTGLREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c18-13-15(8-4-2-1-3-5-8)14(19)17-12-9-6-7-10(20-12)11(9)16(13)17/h1-5,9-12H,6-7H2.
What are the key properties of 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione?
5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione has a molecular weight of 271.28 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-9-oxa-3,5,7-triazatetracyclo[6.4.0.02,10.03,7]dodecane-4,6-dione is sourced from PubChem (CID 2755636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).