2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane

C17H20BrNO2 — CID 65103645

IUPAC2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
SMILESBrc1ccc2oc(C3CNCC4(CCCCC4)O3)cc2c1
InChIInChI=1S/C17H20BrNO2/c18-13-4-5-14-12(8-13)9-15(20-14)16-10-19-11-17(21-16)6-2-1-3-7-17/h4-5,8-9,16,19H,1-3,6-7,10-11H2
InChIKeyAGECYXKVEXTJFW-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.56
Rot. Bonds1

About 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane

2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane (PubChem CID 65103645) has the molecular formula C17H20BrNO2 and a molecular weight of 350.26 g/mol. Its IUPAC name is 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
PubChem CID65103645
Molecular FormulaC17H20BrNO2
Molecular Weight350.26 g/mol
Exact Mass349.07
IUPAC Name2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
SMILESBrc1ccc2oc(C3CNCC4(CCCCC4)O3)cc2c1
InChIInChI=1S/C17H20BrNO2/c18-13-4-5-14-12(8-13)9-15(20-14)16-10-19-11-17(21-16)6-2-1-3-7-17/h4-5,8-9,16,19H,1-3,6-7,10-11H2
InChIKeyAGECYXKVEXTJFW-UHFFFAOYSA-N
XLogP4.56
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane 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

6-(5-bromo-1-benzofuran-2-yl)-2-ethyl-2-methylmorpholine
CID 65101932
5-bromo-2-[(2R)-oxiran-2-yl]-1-benzofuran
CID 30121829
2-(5-bromo-1-benzofuran-2-yl)morpholine
CID 43350796
2-naphthalen-1-yl-1-oxa-4-azaspiro[5.5]undecane
CID 65103698
2-thiophen-2-yl-1-oxa-4-azaspiro[5.6]dodecane
CID 65123509
7-(4-tert-butylphenyl)-6-oxa-9-azaspiro[4.5]decane
CID 65104059
3-(5-bromo-1-benzofuran-2-yl)-2,2-dimethylcyclobutan-1-one
CID 81416509
2-(2,6-difluorophenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123315
2-(2-cyclopropylphenyl)-1-oxa-4-azaspiro[5.5]undecane
CID 79972113
9-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 65117626
2-(4-propan-2-ylphenyl)-1-oxa-4-azaspiro[5.6]dodecane
CID 65123122
10-methyl-2-(5-methylfuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane
CID 65116351

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
The IUPAC name of 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane (CID 65103645) is 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane.
What is the SMILES notation for 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
The canonical SMILES for 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane is Brc1ccc2oc(C3CNCC4(CCCCC4)O3)cc2c1.
What is the InChIKey of 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
The InChIKey is AGECYXKVEXTJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO2/c18-13-4-5-14-12(8-13)9-15(20-14)16-10-19-11-17(21-16)6-2-1-3-7-17/h4-5,8-9,16,19H,1-3,6-7,10-11H2.
What are the key properties of 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane?
2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane has a molecular weight of 350.26 g/mol, XLogP of 4.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-benzofuran-2-yl)-1-oxa-4-azaspiro[5.5]undecane is sourced from PubChem (CID 65103645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).