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

C12H19N3O2 — CID 63768173

IUPAC8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1noc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H19N3O2/c1-2-11-13-12(17-14-11)7-15-8-3-4-9(15)6-10(16)5-8/h8-10,16H,2-7H2,1H3
InChIKeyAFARRYYPUWMSLG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.12
Rot. Bonds3

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

8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63768173) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63768173
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1noc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C12H19N3O2/c1-2-11-13-12(17-14-11)7-15-8-3-4-9(15)6-10(16)5-8/h8-10,16H,2-7H2,1H3
InChIKeyAFARRYYPUWMSLG-UHFFFAOYSA-N
XLogP1.12
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63768173) is 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCc1noc(CN2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is AFARRYYPUWMSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-11-13-12(17-14-11)7-15-8-3-4-9(15)6-10(16)5-8/h8-10,16H,2-7H2,1H3.
What are the key properties of 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 237.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63768173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).