N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid

C19H28N4O6 — CID 19797375

IUPACN-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid
SMILESO=C(CCC1CCCC1)Nc1noc(C2CN3CCC2CC3)n1.O=C(O)C(=O)O
InChIInChI=1S/C17H26N4O2.C2H2O4/c22-15(6-5-12-3-1-2-4-12)18-17-19-16(23-20-17)14-11-21-9-7-13(14)8-10-21;3-1(4)2(5)6/h12-14H,1-11H2,(H,18,20,22);(H,3,4)(H,5,6)
InChIKeyADPKNGSDYIQBDC-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.94
Rot. Bonds5

About N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid

N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid (PubChem CID 19797375) has the molecular formula C19H28N4O6 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid.

Molecular Properties

Compound NameN-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid
PubChem CID19797375
Molecular FormulaC19H28N4O6
Molecular Weight408.46 g/mol
Exact Mass408.20
IUPAC NameN-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid
SMILESO=C(CCC1CCCC1)Nc1noc(C2CN3CCC2CC3)n1.O=C(O)C(=O)O
InChIInChI=1S/C17H26N4O2.C2H2O4/c22-15(6-5-12-3-1-2-4-12)18-17-19-16(23-20-17)14-11-21-9-7-13(14)8-10-21;3-1(4)2(5)6/h12-14H,1-11H2,(H,18,20,22);(H,3,4)(H,5,6)
InChIKeyADPKNGSDYIQBDC-UHFFFAOYSA-N
XLogP1.94
TPSA145.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid 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 N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid?
The IUPAC name of N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid (CID 19797375) is N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid.
What is the SMILES notation for N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid?
The canonical SMILES for N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid is O=C(CCC1CCCC1)Nc1noc(C2CN3CCC2CC3)n1.O=C(O)C(=O)O.
What is the InChIKey of N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid?
The InChIKey is ADPKNGSDYIQBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.C2H2O4/c22-15(6-5-12-3-1-2-4-12)18-17-19-16(23-20-17)14-11-21-9-7-13(14)8-10-21;3-1(4)2(5)6/h12-14H,1-11H2,(H,18,20,22);(H,3,4)(H,5,6).
What are the key properties of N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid?
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid has a molecular weight of 408.46 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid is sourced from PubChem (CID 19797375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).