(3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

C16H16FN3OS — CID 118051353

IUPAC(3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESFc1ccc2cc(C3=N[C@@]4(CN5CCC4CC5)ON3)sc2c1
InChIInChI=1S/C16H16FN3OS/c17-12-2-1-10-7-14(22-13(10)8-12)15-18-16(21-19-15)9-20-5-3-11(16)4-6-20/h1-2,7-8,11H,3-6,9H2,(H,18,19)/t16-/m0/s1
InChIKeyLMDXTGBNGCLLGR-INIZCTEOSA-N
MW317.39 g/mol
LogP2.74
Rot. Bonds1

About (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]

(3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (PubChem CID 118051353) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].

Molecular Properties

Compound Name(3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
PubChem CID118051353
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC Name(3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
SMILESFc1ccc2cc(C3=N[C@@]4(CN5CCC4CC5)ON3)sc2c1
InChIInChI=1S/C16H16FN3OS/c17-12-2-1-10-7-14(22-13(10)8-12)15-18-16(21-19-15)9-20-5-3-11(16)4-6-20/h1-2,7-8,11H,3-6,9H2,(H,18,19)/t16-/m0/s1
InChIKeyLMDXTGBNGCLLGR-INIZCTEOSA-N
XLogP2.74
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3'-(2-fluoro-1-benzofuran-5-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
CID 118051187
3'-quinolin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
CID 118051182
3'-(2,3-dihydro-1H-indol-7-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]
CID 123731051
N-[2-(trifluoromethyl)-1-benzothiophen-6-yl]spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211226
(5R)-N-(7-fluoroisoquinolin-3-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211236
(5R)-N-(6-fluoroisoquinolin-3-yl)spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211126
5-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazol-3-amine
CID 81104224
5-(6-fluoro-1-benzothiophen-2-yl)-3-iodo-1,2,4-oxadiazole
CID 112572205
(Z)-N-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]spiro[1,2-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-3-imine
CID 137211104
4-ethyl-3-(6-fluoro-1-benzothiophen-2-yl)-1H-1,2,4-triazole-5-thione
CID 113299981
3-(6-fluoro-1H-indazol-3-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-amine
CID 66724695
N-[(3S)-2,2-dimethyl-1-azabicyclo[2.2.1]heptan-3-yl]-6-fluoro-1-benzothiophene-2-carboxamide
CID 139541409

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The IUPAC name of (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] (CID 118051353) is (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole].
What is the SMILES notation for (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The canonical SMILES for (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is Fc1ccc2cc(C3=N[C@@]4(CN5CCC4CC5)ON3)sc2c1.
What is the InChIKey of (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
The InChIKey is LMDXTGBNGCLLGR-INIZCTEOSA-N. The full InChI is InChI=1S/C16H16FN3OS/c17-12-2-1-10-7-14(22-13(10)8-12)15-18-16(21-19-15)9-20-5-3-11(16)4-6-20/h1-2,7-8,11H,3-6,9H2,(H,18,19)/t16-/m0/s1.
What are the key properties of (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole]?
(3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] has a molecular weight of 317.39 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-(6-fluoro-1-benzothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-2H-1,2,4-oxadiazole] is sourced from PubChem (CID 118051353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).