9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone

C15H17N3O2 — CID 171945695

IUPAC9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone
SMILESO=C(c1ccc2nonc2c1)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H17N3O2/c19-15(9-4-5-13-14(8-9)18-20-17-13)10-6-11-2-1-3-12(7-10)16-11/h4-5,8,10-12,16H,1-3,6-7H2
InChIKeySIZMTFNAQMRPJJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds2

About 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone

9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone (PubChem CID 171945695) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone.

Molecular Properties

Compound Name9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone
PubChem CID171945695
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone
SMILESO=C(c1ccc2nonc2c1)C1CC2CCCC(C1)N2
InChIInChI=1S/C15H17N3O2/c19-15(9-4-5-13-14(8-9)18-20-17-13)10-6-11-2-1-3-12(7-10)16-11/h4-5,8,10-12,16H,1-3,6-7H2
InChIKeySIZMTFNAQMRPJJ-UHFFFAOYSA-N
XLogP2.33
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,1,3-benzoxadiazol-5-yl(piperidin-4-yl)methanone;hydrochloride
CID 67916351
azepan-2-yl(2,1,3-benzoxadiazol-5-yl)methanone
CID 57184043
9-azabicyclo[3.3.1]nonan-3-yl-[3-(trifluoromethyl)phenyl]methanone
CID 171941494
9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945869
9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
CID 171944685
9-azabicyclo[3.3.1]nonan-3-yl-(2-methoxy-4-pyridinyl)methanone
CID 171943405
8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
CID 171941310
N-cyclohexyl-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 25103066
N-(3-hydroxycyclohexyl)-N-methyl-2,1,3-benzoxadiazole-5-carboxamide
CID 67387541
9-azabicyclo[3.3.1]nonan-3-yl-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanone
CID 171939607
2,1,3-benzoxadiazole-5-carboxamide
CID 22335030
9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone
CID 171946068

Frequently Asked Questions

What is the IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone?
The IUPAC name of 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone (CID 171945695) is 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone.
What is the SMILES notation for 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone?
The canonical SMILES for 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone is O=C(c1ccc2nonc2c1)C1CC2CCCC(C1)N2.
What is the InChIKey of 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone?
The InChIKey is SIZMTFNAQMRPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(9-4-5-13-14(8-9)18-20-17-13)10-6-11-2-1-3-12(7-10)16-11/h4-5,8,10-12,16H,1-3,6-7H2.
What are the key properties of 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone?
9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone has a molecular weight of 271.32 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone is sourced from PubChem (CID 171945695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).