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

C13H19N3O2 — CID 55235669

IUPAC8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1nc(C2CC2)no1
InChIInChI=1S/C13H19N3O2/c17-11-5-9-3-4-10(6-11)16(9)7-12-14-13(15-18-12)8-1-2-8/h8-11,17H,1-7H2
InChIKeyWTVPDNPADIJXHM-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.43
Rot. Bonds3

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

8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55235669) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55235669
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1nc(C2CC2)no1
InChIInChI=1S/C13H19N3O2/c17-11-5-9-3-4-10(6-11)16(9)7-12-14-13(15-18-12)8-1-2-8/h8-11,17H,1-7H2
InChIKeyWTVPDNPADIJXHM-UHFFFAOYSA-N
XLogP1.43
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55235669) is 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1nc(C2CC2)no1.
What is the InChIKey of 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is WTVPDNPADIJXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-11-5-9-3-4-10(6-11)16(9)7-12-14-13(15-18-12)8-1-2-8/h8-11,17H,1-7H2.
What are the key properties of 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 249.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55235669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).