N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide

C13H19N3O2 — CID 140824507

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2CC3CCC(C2)N3)no1
InChIInChI=1S/C13H19N3O2/c1-2-11-7-12(16-18-11)13(17)15-10-5-8-3-4-9(6-10)14-8/h7-10,14H,2-6H2,1H3,(H,15,17)
InChIKeySLACTVHMZVJZJA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.25
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 140824507) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID140824507
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)NC2CC3CCC(C2)N3)no1
InChIInChI=1S/C13H19N3O2/c1-2-11-7-12(16-18-11)13(17)15-10-5-8-3-4-9(6-10)14-8/h7-10,14H,2-6H2,1H3,(H,15,17)
InChIKeySLACTVHMZVJZJA-UHFFFAOYSA-N
XLogP1.25
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide (CID 140824507) is N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)NC2CC3CCC(C2)N3)no1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is SLACTVHMZVJZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-11-7-12(16-18-11)13(17)15-10-5-8-3-4-9(6-10)14-8/h7-10,14H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 140824507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).