N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide

C17H17N5O3 — CID 18383743

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide
SMILESN#Cc1nnc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)o1
InChIInChI=1S/C17H17N5O3/c18-9-15-20-21-17(25-15)24-13-3-1-12(2-4-13)16(23)19-14-10-22-7-5-11(14)6-8-22/h1-4,11,14H,5-8,10H2,(H,19,23)
InChIKeyXJUQETJLUKABNV-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.56
Rot. Bonds4

About N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide (PubChem CID 18383743) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide
PubChem CID18383743
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide
SMILESN#Cc1nnc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)o1
InChIInChI=1S/C17H17N5O3/c18-9-15-20-21-17(25-15)24-13-3-1-12(2-4-13)16(23)19-14-10-22-7-5-11(14)6-8-22/h1-4,11,14H,5-8,10H2,(H,19,23)
InChIKeyXJUQETJLUKABNV-UHFFFAOYSA-N
XLogP1.56
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide 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

N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-oxadiazol-2-yl)oxy]benzamide
CID 18383923
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(1,3,4-oxadiazol-2-yloxy)benzamide
CID 18383462
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(4-cyanofuran-2-yl)oxybenzamide
CID 18383842
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-cyanobenzamide
CID 24707260
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-chloro-1,2-oxazol-3-yl)oxy]benzamide
CID 18383806
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[4-(trifluoromethyl)-1,3-oxazol-2-yl]oxy]benzamide
CID 18383665
3-[4-[[(3R)-1-azabicyclo[2.2.2]octan-3-yl]carbamoyl]phenoxy]benzamide
CID 18337457
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methoxy-1,3,4-thiadiazol-2-yl)oxy]benzamide
CID 18383785
4-[(6-acetamido-3-pyridinyl)oxy]-N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]benzamide
CID 22897176
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[[2-(trifluoromethyl)-1,3-oxazol-5-yl]oxy]benzamide
CID 18383899
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-4-(1,3-thiazol-5-yloxy)benzamide
CID 10471783
N-(1-azabicyclo[2.2.1]heptan-3-yl)-4-phenoxybenzamide
CID 22573649

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide (CID 18383743) is N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide is N#Cc1nnc(Oc2ccc(C(=O)NC3CN4CCC3CC4)cc2)o1.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide?
The InChIKey is XJUQETJLUKABNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c18-9-15-20-21-17(25-15)24-13-3-1-12(2-4-13)16(23)19-14-10-22-7-5-11(14)6-8-22/h1-4,11,14H,5-8,10H2,(H,19,23).
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide?
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide has a molecular weight of 339.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-cyano-1,3,4-oxadiazol-2-yl)oxy]benzamide is sourced from PubChem (CID 18383743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).