8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C13H21N3O2 — CID 55235287

IUPAC8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)c1noc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-14-12(18-15-13)7-16-9-3-4-10(16)6-11(17)5-9/h8-11,17H,3-7H2,1-2H3
InChIKeyUEVNVDDROSGLKX-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.68
Rot. Bonds3

About 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55235287) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55235287
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)c1noc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-14-12(18-15-13)7-16-9-3-4-10(16)6-11(17)5-9/h8-11,17H,3-7H2,1-2H3
InChIKeyUEVNVDDROSGLKX-UHFFFAOYSA-N
XLogP1.68
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55235287) is 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CC(C)c1noc(CN2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UEVNVDDROSGLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)13-14-12(18-15-13)7-16-9-3-4-10(16)6-11(17)5-9/h8-11,17H,3-7H2,1-2H3.
What are the key properties of 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 251.33 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55235287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).