(5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

C18H18FN3O2S — CID 11279841

IUPAC(5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(-c2cccnc2F)s1
InChIInChI=1S/C18H18FN3O2S/c19-16-13(2-1-7-20-16)14-3-4-15(25-14)22-11-18(24-17(22)23)10-21-8-5-12(18)6-9-21/h1-4,7,12H,5-6,8-11H2/t18-/m1/s1
InChIKeyJXDDWHFKLYAUFW-GOSISDBHSA-N
MW359.43 g/mol
LogP3.37
Rot. Bonds2

About (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

(5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 11279841) has the molecular formula C18H18FN3O2S and a molecular weight of 359.43 g/mol. Its IUPAC name is (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Name(5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
PubChem CID11279841
Molecular FormulaC18H18FN3O2S
Molecular Weight359.43 g/mol
Exact Mass359.11
IUPAC Name(5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(-c2cccnc2F)s1
InChIInChI=1S/C18H18FN3O2S/c19-16-13(2-1-7-20-16)14-3-4-15(25-14)22-11-18(24-17(22)23)10-21-8-5-12(18)6-9-21/h1-4,7,12H,5-6,8-11H2/t18-/m1/s1
InChIKeyJXDDWHFKLYAUFW-GOSISDBHSA-N
XLogP3.37
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The IUPAC name of (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 11279841) is (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The canonical SMILES for (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc(-c2cccnc2F)s1.
What is the InChIKey of (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The InChIKey is JXDDWHFKLYAUFW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H18FN3O2S/c19-16-13(2-1-7-20-16)14-3-4-15(25-14)22-11-18(24-17(22)23)10-21-8-5-12(18)6-9-21/h1-4,7,12H,5-6,8-11H2/t18-/m1/s1.
What are the key properties of (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
(5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 359.43 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[5-(2-fluoro-3-pyridinyl)thiophen-2-yl]spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 11279841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).