(5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

C17H18N2O3 — CID 11508279

IUPAC(5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccoc2c1
InChIInChI=1S/C17H18N2O3/c20-16-19(14-2-1-12-5-8-21-15(12)9-14)11-17(22-16)10-18-6-3-13(17)4-7-18/h1-2,5,8-9,13H,3-4,6-7,10-11H2/t17-/m1/s1
InChIKeyKEKXYUQHGRWAJR-QGZVFWFLSA-N
MW298.34 g/mol
LogP2.85
Rot. Bonds1

About (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

(5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (PubChem CID 11508279) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.

Molecular Properties

Compound Name(5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
PubChem CID11508279
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one
SMILESO=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccoc2c1
InChIInChI=1S/C17H18N2O3/c20-16-19(14-2-1-12-5-8-21-15(12)9-14)11-17(22-16)10-18-6-3-13(17)4-7-18/h1-2,5,8-9,13H,3-4,6-7,10-11H2/t17-/m1/s1
InChIKeyKEKXYUQHGRWAJR-QGZVFWFLSA-N
XLogP2.85
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The IUPAC name of (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one (CID 11508279) is (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one.
What is the SMILES notation for (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The canonical SMILES for (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is O=C1O[C@]2(CN3CCC2CC3)CN1c1ccc2ccoc2c1.
What is the InChIKey of (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
The InChIKey is KEKXYUQHGRWAJR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2O3/c20-16-19(14-2-1-12-5-8-21-15(12)9-14)11-17(22-16)10-18-6-3-13(17)4-7-18/h1-2,5,8-9,13H,3-4,6-7,10-11H2/t17-/m1/s1.
What are the key properties of (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one?
(5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one has a molecular weight of 298.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(1-benzofuran-6-yl)spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one is sourced from PubChem (CID 11508279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).