2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one

C24H24N2O3 — CID 118174268

IUPAC2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one
SMILESO=C1N=C(N2CCC3(CC2)OCc2ccccc23)OC12CCCc1ccccc12
InChIInChI=1S/C24H24N2O3/c27-21-24(11-5-8-17-6-1-4-10-20(17)24)29-22(25-21)26-14-12-23(13-15-26)19-9-3-2-7-18(19)16-28-23/h1-4,6-7,9-10H,5,8,11-16H2
InChIKeyLCAWHWTUWNZBSK-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.65
Rot. Bonds

About 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one

2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one (PubChem CID 118174268) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one.

Molecular Properties

Compound Name2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one
PubChem CID118174268
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one
SMILESO=C1N=C(N2CCC3(CC2)OCc2ccccc23)OC12CCCc1ccccc12
InChIInChI=1S/C24H24N2O3/c27-21-24(11-5-8-17-6-1-4-10-20(17)24)29-22(25-21)26-14-12-23(13-15-26)19-9-3-2-7-18(19)16-28-23/h1-4,6-7,9-10H,5,8,11-16H2
InChIKeyLCAWHWTUWNZBSK-UHFFFAOYSA-N
XLogP3.65
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one?
The IUPAC name of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one (CID 118174268) is 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one.
What is the SMILES notation for 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one?
The canonical SMILES for 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one is O=C1N=C(N2CCC3(CC2)OCc2ccccc23)OC12CCCc1ccccc12.
What is the InChIKey of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one?
The InChIKey is LCAWHWTUWNZBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c27-21-24(11-5-8-17-6-1-4-10-20(17)24)29-22(25-21)26-14-12-23(13-15-26)19-9-3-2-7-18(19)16-28-23/h1-4,6-7,9-10H,5,8,11-16H2.
What are the key properties of 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one?
2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one has a molecular weight of 388.47 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylspiro[1,3-oxazole-5,4'-2,3-dihydro-1H-naphthalene]-4-one is sourced from PubChem (CID 118174268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).