10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine

C22H21NO2 — CID 59572260

IUPAC10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1ccc(N2c3ccccc3COc3ccoc32)c2c1CCCC2
InChIInChI=1S/C22H21NO2/c1-15-10-11-20(18-8-4-3-7-17(15)18)23-19-9-5-2-6-16(19)14-25-21-12-13-24-22(21)23/h2,5-6,9-13H,3-4,7-8,14H2,1H3
InChIKeyACFBSDCNNYPPLH-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.83
Rot. Bonds1

About 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine

10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine (PubChem CID 59572260) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
PubChem CID59572260
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1ccc(N2c3ccccc3COc3ccoc32)c2c1CCCC2
InChIInChI=1S/C22H21NO2/c1-15-10-11-20(18-8-4-3-7-17(15)18)23-19-9-5-2-6-16(19)14-25-21-12-13-24-22(21)23/h2,5-6,9-13H,3-4,7-8,14H2,1H3
InChIKeyACFBSDCNNYPPLH-UHFFFAOYSA-N
XLogP5.83
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine 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 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine?
The IUPAC name of 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine (CID 59572260) is 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine is Cc1ccc(N2c3ccccc3COc3ccoc32)c2c1CCCC2.
What is the InChIKey of 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine?
The InChIKey is ACFBSDCNNYPPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15-10-11-20(18-8-4-3-7-17(15)18)23-19-9-5-2-6-16(19)14-25-21-12-13-24-22(21)23/h2,5-6,9-13H,3-4,7-8,14H2,1H3.
What are the key properties of 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine?
10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine has a molecular weight of 331.42 g/mol, XLogP of 5.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59572260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).