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

C14H23N3O2 — CID 55236636

IUPAC8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)c1noc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)13-15-12(19-16-13)8-17-9-4-5-10(17)7-11(18)6-9/h9-11,18H,4-8H2,1-3H3
InChIKeyGMYPVLGGYDPOQD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.85
Rot. Bonds2

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

8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55236636) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55236636
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)(C)c1noc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H23N3O2/c1-14(2,3)13-15-12(19-16-13)8-17-9-4-5-10(17)7-11(18)6-9/h9-11,18H,4-8H2,1-3H3
InChIKeyGMYPVLGGYDPOQD-UHFFFAOYSA-N
XLogP1.85
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55236636) is 8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CC(C)(C)c1noc(CN2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is GMYPVLGGYDPOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)13-15-12(19-16-13)8-17-9-4-5-10(17)7-11(18)6-9/h9-11,18H,4-8H2,1-3H3.
What are the key properties of 8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 265.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55236636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).