3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol

C10H15N3O2 — CID 21476648

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1noc(C2(O)CN3CCC2CC3)n1
InChIInChI=1S/C10H15N3O2/c1-7-11-9(15-12-7)10(14)6-13-4-2-8(10)3-5-13/h8,14H,2-6H2,1H3
InChIKeySHGHIZDOPRSXAG-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.29
Rot. Bonds1

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol

3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 21476648) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID21476648
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol
SMILESCc1noc(C2(O)CN3CCC2CC3)n1
InChIInChI=1S/C10H15N3O2/c1-7-11-9(15-12-7)10(14)6-13-4-2-8(10)3-5-13/h8,14H,2-6H2,1H3
InChIKeySHGHIZDOPRSXAG-UHFFFAOYSA-N
XLogP0.29
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol (CID 21476648) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol is Cc1noc(C2(O)CN3CCC2CC3)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is SHGHIZDOPRSXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-11-9(15-12-7)10(14)6-13-4-2-8(10)3-5-13/h8,14H,2-6H2,1H3.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol?
3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 209.25 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 21476648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).