5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine

C18H20N2O — CID 58495069

IUPAC5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine
SMILESc1ccc(-c2c3c(cc4c2NCCO4)CCNCC3)cc1
InChIInChI=1S/C18H20N2O/c1-2-4-13(5-3-1)17-15-7-9-19-8-6-14(15)12-16-18(17)20-10-11-21-16/h1-5,12,19-20H,6-11H2
InChIKeyIUIRPLVKNYWWHH-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.85
Rot. Bonds1

About 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine

5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine (PubChem CID 58495069) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine.

Molecular Properties

Compound Name5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine
PubChem CID58495069
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine
SMILESc1ccc(-c2c3c(cc4c2NCCO4)CCNCC3)cc1
InChIInChI=1S/C18H20N2O/c1-2-4-13(5-3-1)17-15-7-9-19-8-6-14(15)12-16-18(17)20-10-11-21-16/h1-5,12,19-20H,6-11H2
InChIKeyIUIRPLVKNYWWHH-UHFFFAOYSA-N
XLogP2.85
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine?
The IUPAC name of 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine (CID 58495069) is 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine.
What is the SMILES notation for 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine?
The canonical SMILES for 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine is c1ccc(-c2c3c(cc4c2NCCO4)CCNCC3)cc1.
What is the InChIKey of 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine?
The InChIKey is IUIRPLVKNYWWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-4-13(5-3-1)17-15-7-9-19-8-6-14(15)12-16-18(17)20-10-11-21-16/h1-5,12,19-20H,6-11H2.
What are the key properties of 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine?
5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine has a molecular weight of 280.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,3,4,6,7,8,9,10-octahydro-[1,4]oxazino[2,3-h][3]benzazepine is sourced from PubChem (CID 58495069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).