[7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone

C23H20ClFN6O2 — CID 89487805

IUPAC[7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1c(F)cccc1-n1nccn1)N1CC2CC(C1)CN(c1nc3cc(Cl)ccc3o1)C2
InChIInChI=1S/C23H20ClFN6O2/c24-16-4-5-20-18(9-16)28-23(33-20)30-12-14-8-15(13-30)11-29(10-14)22(32)21-17(25)2-1-3-19(21)31-26-6-7-27-31/h1-7,9,14-15H,8,10-13H2
InChIKeyZOGGGURTOGOFMG-UHFFFAOYSA-N
MW466.90 g/mol
LogP3.80
Rot. Bonds3

About [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone

[7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone (PubChem CID 89487805) has the molecular formula C23H20ClFN6O2 and a molecular weight of 466.90 g/mol. Its IUPAC name is [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
PubChem CID89487805
Molecular FormulaC23H20ClFN6O2
Molecular Weight466.90 g/mol
Exact Mass466.13
IUPAC Name[7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone
SMILESO=C(c1c(F)cccc1-n1nccn1)N1CC2CC(C1)CN(c1nc3cc(Cl)ccc3o1)C2
InChIInChI=1S/C23H20ClFN6O2/c24-16-4-5-20-18(9-16)28-23(33-20)30-12-14-8-15(13-30)11-29(10-14)22(32)21-17(25)2-1-3-19(21)31-26-6-7-27-31/h1-7,9,14-15H,8,10-13H2
InChIKeyZOGGGURTOGOFMG-UHFFFAOYSA-N
XLogP3.80
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.90
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]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 [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone (CID 89487805) is [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone is O=C(c1c(F)cccc1-n1nccn1)N1CC2CC(C1)CN(c1nc3cc(Cl)ccc3o1)C2.
What is the InChIKey of [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone?
The InChIKey is ZOGGGURTOGOFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN6O2/c24-16-4-5-20-18(9-16)28-23(33-20)30-12-14-8-15(13-30)11-29(10-14)22(32)21-17(25)2-1-3-19(21)31-26-6-7-27-31/h1-7,9,14-15H,8,10-13H2.
What are the key properties of [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone?
[7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone has a molecular weight of 466.90 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-chloro-1,3-benzoxazol-2-yl)-3,7-diazabicyclo[3.3.1]nonan-3-yl]-[2-fluoro-6-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 89487805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).