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

C14H22N4O — CID 116806534

IUPAC5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESC1CCN(c2noc(CC3CC4CCC(C3)N4)n2)C1
InChIInChI=1S/C14H22N4O/c1-2-6-18(5-1)14-16-13(19-17-14)9-10-7-11-3-4-12(8-10)15-11/h10-12,15H,1-9H2
InChIKeyIQOIOBLZMHYDSL-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.74
Rot. Bonds3

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

5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (PubChem CID 116806534) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
PubChem CID116806534
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESC1CCN(c2noc(CC3CC4CCC(C3)N4)n2)C1
InChIInChI=1S/C14H22N4O/c1-2-6-18(5-1)14-16-13(19-17-14)9-10-7-11-3-4-12(8-10)15-11/h10-12,15H,1-9H2
InChIKeyIQOIOBLZMHYDSL-UHFFFAOYSA-N
XLogP1.74
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 79608659
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
CID 79608298
2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-ol
CID 106483235
5-(7-azabicyclo[2.2.1]heptan-2-yl)-3-(azepan-1-yl)-1,2,4-oxadiazole
CID 116808055
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
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709
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
N-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 116807158
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-(furan-2-yl)-1,2,4-oxadiazole
CID 79608373

Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole (CID 116806534) is 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole is C1CCN(c2noc(CC3CC4CCC(C3)N4)n2)C1.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The InChIKey is IQOIOBLZMHYDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-6-18(5-1)14-16-13(19-17-14)9-10-7-11-3-4-12(8-10)15-11/h10-12,15H,1-9H2.
What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-pyrrolidin-1-yl-1,2,4-oxadiazole has a molecular weight of 262.36 g/mol, XLogP of 1.74, 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-pyrrolidin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 116806534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).