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

C19H28N4O6 — CID 70383405

IUPACN-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclohexylacetamide;oxalic acid
SMILESO=C(CC1CCCCC1)Nc1noc(C2CN3CCC2CC3)n1.O=C(O)C(=O)O
InChIInChI=1S/C17H26N4O2.C2H2O4/c22-15(10-12-4-2-1-3-5-12)18-17-19-16(23-20-17)14-11-21-8-6-13(14)7-9-21;3-1(4)2(5)6/h12-14H,1-11H2,(H,18,20,22);(H,3,4)(H,5,6)
InChIKeyYPHLKMIQOPGAEA-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.94
Rot. Bonds4

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

N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclohexylacetamide;oxalic acid (PubChem CID 70383405) 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]-2-cyclohexylacetamide;oxalic acid.

Molecular Properties

Compound NameN-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclohexylacetamide;oxalic acid
PubChem CID70383405
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]-2-cyclohexylacetamide;oxalic acid
SMILESO=C(CC1CCCCC1)Nc1noc(C2CN3CCC2CC3)n1.O=C(O)C(=O)O
InChIInChI=1S/C17H26N4O2.C2H2O4/c22-15(10-12-4-2-1-3-5-12)18-17-19-16(23-20-17)14-11-21-8-6-13(14)7-9-21;3-1(4)2(5)6/h12-14H,1-11H2,(H,18,20,22);(H,3,4)(H,5,6)
InChIKeyYPHLKMIQOPGAEA-UHFFFAOYSA-N
XLogP1.94
TPSA145.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
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'}

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Related Compounds

N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-3-cyclopentylpropanamide;oxalic acid
CID 19797375
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexanecarboxamide
CID 19797372
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]octanamide;oxalic acid
CID 70383146
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]hexadecanamide
CID 19797365
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]formamide;hydrochloride
CID 88506378
9H-fluoren-9-ylmethyl N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]carbamate;hydrochloride
CID 70382905
[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-(2,2-dimethylpropyl)carbamic acid;hydrochloride
CID 70382592
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 70384934
5-(1-azabicyclo[2.2.2]octan-3-yl)-3-pentyl-1,2,4-oxadiazole
CID 164773960
2-cyclohexyl-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 6487204
2-cyclopentyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]acetamide
CID 167818077
3-cyclohexyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728032

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]-2-cyclohexylacetamide;oxalic acid?
The IUPAC name of N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclohexylacetamide;oxalic acid (CID 70383405) is N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclohexylacetamide;oxalic acid.
What is the SMILES notation for N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclohexylacetamide;oxalic acid?
The canonical SMILES for N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclohexylacetamide;oxalic acid is O=C(CC1CCCCC1)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]-2-cyclohexylacetamide;oxalic acid?
The InChIKey is YPHLKMIQOPGAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.C2H2O4/c22-15(10-12-4-2-1-3-5-12)18-17-19-16(23-20-17)14-11-21-8-6-13(14)7-9-21;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]-2-cyclohexylacetamide;oxalic acid?
N-[5-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,4-oxadiazol-3-yl]-2-cyclohexylacetamide;oxalic acid has a molecular weight of 408.46 g/mol, XLogP of 1.94, 4 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]-2-cyclohexylacetamide;oxalic acid is sourced from PubChem (CID 70383405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).