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3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole

C16H22N4OS — CID 154867755

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole
SMILESCC(C)Cc1ncc(-c2nc(C3CC4CCC(C3)N4)no2)s1
InChIInChI=1S/C16H22N4OS/c1-9(2)5-14-17-8-13(22-14)16-19-15(20-21-16)10-6-11-3-4-12(7-10)18-11/h8-12,18H,3-7H2,1-2H3
InChIKeyFAQCAMMVUURAIJ-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.39
Rot. Bonds4

About 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole

3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 154867755) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole
PubChem CID154867755
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole
SMILESCC(C)Cc1ncc(-c2nc(C3CC4CCC(C3)N4)no2)s1
InChIInChI=1S/C16H22N4OS/c1-9(2)5-14-17-8-13(22-14)16-19-15(20-21-16)10-6-11-3-4-12(7-10)18-11/h8-12,18H,3-7H2,1-2H3
InChIKeyFAQCAMMVUURAIJ-UHFFFAOYSA-N
XLogP3.39
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole (CID 154867755) is 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole is CC(C)Cc1ncc(-c2nc(C3CC4CCC(C3)N4)no2)s1.
What is the InChIKey of 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is FAQCAMMVUURAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-9(2)5-14-17-8-13(22-14)16-19-15(20-21-16)10-6-11-3-4-12(7-10)18-11/h8-12,18H,3-7H2,1-2H3.
What are the key properties of 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole?
3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 318.45 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 154867755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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