2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide

C13H20N3O2+ — CID 142689138

IUPAC2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccon1)[N+]12CCC(CC1)CC2
InChIInChI=1S/C13H19N3O2/c1-10(13(17)14-12-5-9-18-15-12)16-6-2-11(3-7-16)4-8-16/h5,9-11H,2-4,6-8H2,1H3/p+1
InChIKeyANHJZCPHFXXFNR-UHFFFAOYSA-O
MW250.32 g/mol
LogP1.63
Rot. Bonds3

About 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide

2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide (PubChem CID 142689138) has the molecular formula C13H20N3O2+ and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide
PubChem CID142689138
Molecular FormulaC13H20N3O2+
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide
SMILESCC(C(=O)Nc1ccon1)[N+]12CCC(CC1)CC2
InChIInChI=1S/C13H19N3O2/c1-10(13(17)14-12-5-9-18-15-12)16-6-2-11(3-7-16)4-8-16/h5,9-11H,2-4,6-8H2,1H3/p+1
InChIKeyANHJZCPHFXXFNR-UHFFFAOYSA-O
XLogP1.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoro-N-(1,2-oxazol-3-yl)acetamide
CID 103515463
2-hydroxy-2-(1-methylpiperidin-4-yl)-N-(1,2-oxazol-3-yl)acetamide;hydrobromide
CID 173063810
N-(1,2-oxazol-3-yl)cyclopentanecarboxamide
CID 17218146
N-(1,2-oxazol-3-yl)-2-piperazin-1-ylpropanamide
CID 62913788
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 813750
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725
2-(butan-2-ylamino)-N-(1,2-oxazol-3-yl)acetamide
CID 42656286
(2R)-N-(1,2-oxazol-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42562865
2-methyl-N-(1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 106739982
3-(methylamino)-N-(1,2-oxazol-3-yl)cyclobutane-1-carboxamide
CID 164651421
N-(1,2-oxazol-3-yl)-3-oxobutanamide
CID 62902230

Frequently Asked Questions

What is the IUPAC name of 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide?
The IUPAC name of 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide (CID 142689138) is 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide is CC(C(=O)Nc1ccon1)[N+]12CCC(CC1)CC2.
What is the InChIKey of 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide?
The InChIKey is ANHJZCPHFXXFNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H19N3O2/c1-10(13(17)14-12-5-9-18-15-12)16-6-2-11(3-7-16)4-8-16/h5,9-11H,2-4,6-8H2,1H3/p+1.
What are the key properties of 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide?
2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide has a molecular weight of 250.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azoniabicyclo[2.2.2]octan-1-yl)-N-(1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 142689138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).