7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine

C22H22N2O — CID 159107451

IUPAC7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine
SMILESc1ccc([15CH2]N2CCCOc3nccc(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C22H22N2O/c1-3-8-18(9-4-1)16-24-14-7-15-25-22-21(17-24)20(12-13-23-22)19-10-5-2-6-11-19/h1-6,8-13H,7,14-17H2/i16+3
InChIKeyKEBJZZPHNPHJHJ-FOJZFKRZSA-N
MW333.43 g/mol
LogP4.53
Rot. Bonds3

About 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine

7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine (PubChem CID 159107451) has the molecular formula C22H22N2O and a molecular weight of 333.43 g/mol. Its IUPAC name is 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine.

Molecular Properties

Compound Name7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine
PubChem CID159107451
Molecular FormulaC22H22N2O
Molecular Weight333.43 g/mol
Exact Mass333.18
IUPAC Name7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine
SMILESc1ccc([15CH2]N2CCCOc3nccc(-c4ccccc4)c3C2)cc1
InChIInChI=1S/C22H22N2O/c1-3-8-18(9-4-1)16-24-14-7-15-25-22-21(17-24)20(12-13-23-22)19-10-5-2-6-11-19/h1-6,8-13H,7,14-17H2/i16+3
InChIKeyKEBJZZPHNPHJHJ-FOJZFKRZSA-N
XLogP4.53
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine 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 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine?
The IUPAC name of 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine (CID 159107451) is 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine.
What is the SMILES notation for 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine?
The canonical SMILES for 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine is c1ccc([15CH2]N2CCCOc3nccc(-c4ccccc4)c3C2)cc1.
What is the InChIKey of 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine?
The InChIKey is KEBJZZPHNPHJHJ-FOJZFKRZSA-N. The full InChI is InChI=1S/C22H22N2O/c1-3-8-18(9-4-1)16-24-14-7-15-25-22-21(17-24)20(12-13-23-22)19-10-5-2-6-11-19/h1-6,8-13H,7,14-17H2/i16+3.
What are the key properties of 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine?
7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine has a molecular weight of 333.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-5-(phenyl(115C)methyl)-2,3,4,6-tetrahydropyrido[2,3-b][1,5]oxazocine is sourced from PubChem (CID 159107451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).