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

C22H21NO2 — CID 59572243

IUPAC2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1cc2c(o1)N(c1cccc3c1CCCC3)c1ccccc1CO2
InChIInChI=1S/C22H21NO2/c1-15-13-21-22(25-15)23(19-11-5-3-8-17(19)14-24-21)20-12-6-9-16-7-2-4-10-18(16)20/h3,5-6,8-9,11-13H,2,4,7,10,14H2,1H3
InChIKeyMAZURCWMYVRPAA-UHFFFAOYSA-N
MW331.42 g/mol
LogP5.83
Rot. Bonds1

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

2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine (PubChem CID 59572243) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
PubChem CID59572243
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1cc2c(o1)N(c1cccc3c1CCCC3)c1ccccc1CO2
InChIInChI=1S/C22H21NO2/c1-15-13-21-22(25-15)23(19-11-5-3-8-17(19)14-24-21)20-12-6-9-16-7-2-4-10-18(16)20/h3,5-6,8-9,11-13H,2,4,7,10,14H2,1H3
InChIKeyMAZURCWMYVRPAA-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine?
The IUPAC name of 2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine (CID 59572243) is 2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine is Cc1cc2c(o1)N(c1cccc3c1CCCC3)c1ccccc1CO2.
What is the InChIKey of 2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine?
The InChIKey is MAZURCWMYVRPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15-13-21-22(25-15)23(19-11-5-3-8-17(19)14-24-21)20-12-6-9-16-7-2-4-10-18(16)20/h3,5-6,8-9,11-13H,2,4,7,10,14H2,1H3.
What are the key properties of 2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine?
2-methyl-10-(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 2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59572243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).