4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine

C10H15N3O — CID 19018565

IUPAC4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine
SMILESNc1nc(C2CN3CCC2CC3)co1
InChIInChI=1S/C10H15N3O/c11-10-12-9(6-14-10)8-5-13-3-1-7(8)2-4-13/h6-8H,1-5H2,(H2,11,12)
InChIKeyGFCPTZJXUIOVQC-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.07
Rot. Bonds1

About 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine

4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine (PubChem CID 19018565) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine
PubChem CID19018565
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine
SMILESNc1nc(C2CN3CCC2CC3)co1
InChIInChI=1S/C10H15N3O/c11-10-12-9(6-14-10)8-5-13-3-1-7(8)2-4-13/h6-8H,1-5H2,(H2,11,12)
InChIKeyGFCPTZJXUIOVQC-UHFFFAOYSA-N
XLogP1.07
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine?
The IUPAC name of 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine (CID 19018565) is 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine.
What is the SMILES notation for 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine?
The canonical SMILES for 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine is Nc1nc(C2CN3CCC2CC3)co1.
What is the InChIKey of 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine?
The InChIKey is GFCPTZJXUIOVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-10-12-9(6-14-10)8-5-13-3-1-7(8)2-4-13/h6-8H,1-5H2,(H2,11,12).
What are the key properties of 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine?
4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine has a molecular weight of 193.25 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[2.2.2]octan-3-yl)-1,3-oxazol-2-amine is sourced from PubChem (CID 19018565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).