2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone

C13H13N3O2 — CID 25192132

IUPAC2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone
SMILESO=C(c1ccc2nonc2c1)C12CCC(CN1)C2
InChIInChI=1S/C13H13N3O2/c17-12(13-4-3-8(6-13)7-14-13)9-1-2-10-11(5-9)16-18-15-10/h1-2,5,8,14H,3-4,6-7H2
InChIKeyVYWXFDKUCACBMZ-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.55
Rot. Bonds2

About 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone

2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone (PubChem CID 25192132) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone
PubChem CID25192132
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone
SMILESO=C(c1ccc2nonc2c1)C12CCC(CN1)C2
InChIInChI=1S/C13H13N3O2/c17-12(13-4-3-8(6-13)7-14-13)9-1-2-10-11(5-9)16-18-15-10/h1-2,5,8,14H,3-4,6-7H2
InChIKeyVYWXFDKUCACBMZ-UHFFFAOYSA-N
XLogP1.55
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone 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 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone (CID 25192132) is 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone is O=C(c1ccc2nonc2c1)C12CCC(CN1)C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone?
The InChIKey is VYWXFDKUCACBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-12(13-4-3-8(6-13)7-14-13)9-1-2-10-11(5-9)16-18-15-10/h1-2,5,8,14H,3-4,6-7H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone?
2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone has a molecular weight of 243.27 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-1-yl(2,1,3-benzoxadiazol-5-yl)methanone is sourced from PubChem (CID 25192132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).