2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C18H19NO2 — CID 72545537

IUPAC2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1ccc(C2COc3cccc4c3N2CCC4)cc1
InChIInChI=1S/C18H19NO2/c1-20-15-9-7-13(8-10-15)16-12-21-17-6-2-4-14-5-3-11-19(16)18(14)17/h2,4,6-10,16H,3,5,11-12H2,1H3
InChIKeyGSLBQPPZKMZKTR-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.58
Rot. Bonds2

About 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 72545537) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID72545537
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESCOc1ccc(C2COc3cccc4c3N2CCC4)cc1
InChIInChI=1S/C18H19NO2/c1-20-15-9-7-13(8-10-15)16-12-21-17-6-2-4-14-5-3-11-19(16)18(14)17/h2,4,6-10,16H,3,5,11-12H2,1H3
InChIKeyGSLBQPPZKMZKTR-UHFFFAOYSA-N
XLogP3.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene 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-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 72545537) is 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is COc1ccc(C2COc3cccc4c3N2CCC4)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is GSLBQPPZKMZKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-20-15-9-7-13(8-10-15)16-12-21-17-6-2-4-14-5-3-11-19(16)18(14)17/h2,4,6-10,16H,3,5,11-12H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 281.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 72545537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).