5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole

C16H19N3O — CID 79609378

IUPAC5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CC3CC4CCC(C3)N4)n2)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-12(5-3-1)16-18-15(20-19-16)10-11-8-13-6-7-14(9-11)17-13/h1-5,11,13-14,17H,6-10H2
InChIKeyGRYTYUWCARDPRL-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.81
Rot. Bonds3

About 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole

5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole (PubChem CID 79609378) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole
PubChem CID79609378
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole
SMILESc1ccc(-c2noc(CC3CC4CCC(C3)N4)n2)cc1
InChIInChI=1S/C16H19N3O/c1-2-4-12(5-3-1)16-18-15(20-19-16)10-11-8-13-6-7-14(9-11)17-13/h1-5,11,13-14,17H,6-10H2
InChIKeyGRYTYUWCARDPRL-UHFFFAOYSA-N
XLogP2.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 119947623
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 119947808
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole
CID 79609412
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 79608373
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 79609646
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 79609647
5-(azepan-4-ylmethyl)-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120835096
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(phenoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 119947868
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 79608659
5-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 178121281
(1S,5S)-3-benzyl-8-azabicyclo[3.2.1]octane
CID 99645713

Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole (CID 79609378) is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole is c1ccc(-c2noc(CC3CC4CCC(C3)N4)n2)cc1.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GRYTYUWCARDPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-2-4-12(5-3-1)16-18-15(20-19-16)10-11-8-13-6-7-14(9-11)17-13/h1-5,11,13-14,17H,6-10H2.
What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole?
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole has a molecular weight of 269.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 79609378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).