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

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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Related Compounds

4-[5-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 146077388
3-(8-azabicyclo[3.2.1]octan-3-yl)-5-[2-(1-methylpyrazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 167851239
1-ethyl-4-[5-[5-(2-methylpropyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]pyrrolidin-2-one
CID 154781066
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 79608659
2-(2-methylpropyl)-5-[6-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1,3-thiazole
CID 110130923
2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 124974214
5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65402043
4-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propan-2-yl-1,3-thiazol-2-amine
CID 82423575
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-N,N-dimethylthieno[2,3-d][1,3]thiazol-2-amine
CID 167839795
5-(2-methylpropyl)-3-piperidin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 86277244
5-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 65401013
5-(4,5-dibromothiophen-2-yl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 80538814

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).