7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

C15H17NO3 — CID 85264756

IUPAC7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESCOc1ccc(C2OCC3C4CC4(C)C(=O)N23)cc1
InChIInChI=1S/C15H17NO3/c1-15-7-11(15)12-8-19-13(16(12)14(15)17)9-3-5-10(18-2)6-4-9/h3-6,11-13H,7-8H2,1-2H3
InChIKeyZMABKHGKPKPNAM-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.96
Rot. Bonds2

About 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one

7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (PubChem CID 85264756) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
PubChem CID85264756
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
SMILESCOc1ccc(C2OCC3C4CC4(C)C(=O)N23)cc1
InChIInChI=1S/C15H17NO3/c1-15-7-11(15)12-8-19-13(16(12)14(15)17)9-3-5-10(18-2)6-4-9/h3-6,11-13H,7-8H2,1-2H3
InChIKeyZMABKHGKPKPNAM-UHFFFAOYSA-N
XLogP1.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7aR)-6,6-dimethyl-7a-(4-phenoxyphenyl)-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 10567936
(7aR)-7a-(4-phenoxyphenyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 44360332
(1S,2S,4R,7R)-3-(2-fluoroethyl)-7-(4-methoxyphenyl)-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 118414110
(1S,2S,3S,4R,7R)-3-fluoro-7-(4-methoxyphenyl)-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 118414272
(1S,2S,3S,4R,7R)-3-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 118414369
(1S,2R,5S,8R)-5-fluoro-8-(4-methoxyphenyl)-9-oxa-7-azatricyclo[5.3.0.02,5]decan-6-one
CID 118414455
(1S,2R,3S,4S,7R)-3-(fluoromethyl)-7-(4-methoxyphenyl)-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 118414475
(3R,7S,7aS)-7-(fluoromethyl)-3-(4-methoxyphenyl)-6-methyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414483
(1S,2R,3S,4S,7R)-4-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 118414514
(3R,7aS)-6-fluoro-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414570
(1S,2R,3R,4S,7R)-4-fluoro-7-(4-methoxyphenyl)-3-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one
CID 118414585
(3R,6R,7R,7aS)-7-ethyl-6-fluoro-3-(4-methoxyphenyl)-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 118414655

Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The IUPAC name of 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one (CID 85264756) is 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one.
What is the SMILES notation for 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The canonical SMILES for 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is COc1ccc(C2OCC3C4CC4(C)C(=O)N23)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
The InChIKey is ZMABKHGKPKPNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15-7-11(15)12-8-19-13(16(12)14(15)17)9-3-5-10(18-2)6-4-9/h3-6,11-13H,7-8H2,1-2H3.
What are the key properties of 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one?
7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one has a molecular weight of 259.31 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-4-methyl-8-oxa-6-azatricyclo[4.3.0.02,4]nonan-5-one is sourced from PubChem (CID 85264756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).