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

C14H23N3O2 — CID 55235863

IUPAC8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCc1noc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H23N3O2/c1-2-3-4-13-15-14(19-16-13)9-17-10-5-6-11(17)8-12(18)7-10/h10-12,18H,2-9H2,1H3
InChIKeyYLFGEODNLAUAFQ-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.90
Rot. Bonds5

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

8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 55235863) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID55235863
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCc1noc(CN2C3CCC2CC(O)C3)n1
InChIInChI=1S/C14H23N3O2/c1-2-3-4-13-15-14(19-16-13)9-17-10-5-6-11(17)8-12(18)7-10/h10-12,18H,2-9H2,1H3
InChIKeyYLFGEODNLAUAFQ-UHFFFAOYSA-N
XLogP1.90
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[(3-butyl-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-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 55235863) is 8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is CCCCc1noc(CN2C3CCC2CC(O)C3)n1.
What is the InChIKey of 8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YLFGEODNLAUAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-3-4-13-15-14(19-16-13)9-17-10-5-6-11(17)8-12(18)7-10/h10-12,18H,2-9H2,1H3.
What are the key properties of 8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(3-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 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 55235863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).