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

C14H17N3O2 — CID 79608373

IUPAC5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CC3CC4CCC(C3)N4)n2)c1
InChIInChI=1S/C14H17N3O2/c1-2-12(18-5-1)14-16-13(19-17-14)8-9-6-10-3-4-11(7-9)15-10/h1-2,5,9-11,15H,3-4,6-8H2
InChIKeySSVBPMVPXVZLSG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.40
Rot. Bonds3

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

5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 79608373) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID79608373
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
SMILESc1coc(-c2noc(CC3CC4CCC(C3)N4)n2)c1
InChIInChI=1S/C14H17N3O2/c1-2-12(18-5-1)14-16-13(19-17-14)8-9-6-10-3-4-11(7-9)15-10/h1-2,5,9-11,15H,3-4,6-8H2
InChIKeySSVBPMVPXVZLSG-UHFFFAOYSA-N
XLogP2.40
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-phenyl-1,2,4-oxadiazole
CID 79609378
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-pyridin-4-yl-1,2,4-oxadiazole;hydrochloride
CID 119947623
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 79609647
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(3-chlorophenyl)-1,2,4-oxadiazole;hydrochloride
CID 119947808
5-(1,4-dioxaspiro[4.5]decan-8-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole
CID 119052804
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-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 119947681
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 79608659
3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
N-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentanamine
CID 62716647

Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole (CID 79608373) is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole is c1coc(-c2noc(CC3CC4CCC(C3)N4)n2)c1.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is SSVBPMVPXVZLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-12(18-5-1)14-16-13(19-17-14)8-9-6-10-3-4-11(7-9)15-10/h1-2,5,9-11,15H,3-4,6-8H2.
What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole?
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 259.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 79608373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).