2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one

C20H19NO2 — CID 15384238

IUPAC2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
SMILESO=C1OC(c2ccccc2)=NC12CCCCC2c1ccccc1
InChIInChI=1S/C20H19NO2/c22-19-20(21-18(23-19)16-11-5-2-6-12-16)14-8-7-13-17(20)15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2
InChIKeyHWHSJQYGPSZYJV-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.09
Rot. Bonds2

About 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one

2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one (PubChem CID 15384238) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one.

Molecular Properties

Compound Name2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
PubChem CID15384238
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one
SMILESO=C1OC(c2ccccc2)=NC12CCCCC2c1ccccc1
InChIInChI=1S/C20H19NO2/c22-19-20(21-18(23-19)16-11-5-2-6-12-16)14-8-7-13-17(20)15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2
InChIKeyHWHSJQYGPSZYJV-UHFFFAOYSA-N
XLogP4.09
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 4464105
2,4-Diphenyl-1,3-oxazol-5(4h)-one
CID 223025
(1R,3R)-1,5-Diphenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one
CID 12331930
4-Benzyl-2-phenyl-2-oxazolin-5-one
CID 2756650
2,4,4-Triphenyl-2-oxazolin-5-one
CID 680472
4-methyl-4-[(E)-3-oxo-1,5-diphenylpent-4-enyl]-2-phenyl-1,3-oxazol-5-one
CID 171347218
1-(4-Methylphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 467563
(2R)-2-(4-chlorophenyl)-6-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one
CID 474677
(2S)-2-(4-chlorophenyl)-6-phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one
CID 474680
(4S)-4-benzyl-2-phenyl-4H-1,3-oxazol-5-one
CID 7016908
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008
tert-butyl (4R)-4-[(4-fluorophenyl)methyl]-2-(2-phenylphenyl)-5H-1,3-oxazole-4-carboxylate
CID 11475955

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
The IUPAC name of 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one (CID 15384238) is 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one.
What is the SMILES notation for 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
The canonical SMILES for 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one is O=C1OC(c2ccccc2)=NC12CCCCC2c1ccccc1.
What is the InChIKey of 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
The InChIKey is HWHSJQYGPSZYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-20(21-18(23-19)16-11-5-2-6-12-16)14-8-7-13-17(20)15-9-3-1-4-10-15/h1-6,9-12,17H,7-8,13-14H2.
What are the key properties of 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one?
2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one has a molecular weight of 305.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyl-3-oxa-1-azaspiro[4.5]dec-1-en-4-one is sourced from PubChem (CID 15384238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).