5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

C19H19NO2 — CID 58724374

IUPAC5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OCC2CC(c3ccccc3)CC(c3ccccc3)N12
InChIInChI=1S/C19H19NO2/c21-19-20-17(13-22-19)11-16(14-7-3-1-4-8-14)12-18(20)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
InChIKeyASBWBNLKUCLFLD-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.13
Rot. Bonds2

About 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one

5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (PubChem CID 58724374) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.

Molecular Properties

Compound Name5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
PubChem CID58724374
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one
SMILESO=C1OCC2CC(c3ccccc3)CC(c3ccccc3)N12
InChIInChI=1S/C19H19NO2/c21-19-20-17(13-22-19)11-16(14-7-3-1-4-8-14)12-18(20)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2
InChIKeyASBWBNLKUCLFLD-UHFFFAOYSA-N
XLogP4.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one with MolForge

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Related Compounds

1-Phenyl-1,3-dihydro-isoindole-2-carboxylic acid (R)-(1-aza-bicyclo[2.2.2]oct-3-yl) ester
CID 11695960
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
5-(4-Benzhydryl-piperazin-1-ylmethyl)-3-isopropyl-oxazolidin-2-one
CID 76072440
3-Allyl-5-(4-benzhydryl-piperazin-1-ylmethyl)-oxazolidin-2-one
CID 76072441
5H-Dibenzo(a,d)cyclohepten-5,10-imine-12-carboxylic acid, 10,11-dihydro-, ethyl ester, (+-)-
CID 3039380
3-Benzyl-4-methyl-8-(2-methylpropanoyl)-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134808685
8-Acetyl-3-benzyl-4-methyl-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 134810976
(4S)-4-phenyl-3-[(3R)-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 10267335
3H-Oxazolo[3,4-b]isoquinolin-3-one, 1,5,10,10a-tetrahydro-
CID 10655260
(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 134951393

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The IUPAC name of 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one (CID 58724374) is 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one.
What is the SMILES notation for 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The canonical SMILES for 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is O=C1OCC2CC(c3ccccc3)CC(c3ccccc3)N12.
What is the InChIKey of 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
The InChIKey is ASBWBNLKUCLFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2/c21-19-20-17(13-22-19)11-16(14-7-3-1-4-8-14)12-18(20)15-9-5-2-6-10-15/h1-10,16-18H,11-13H2.
What are the key properties of 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one?
5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one has a molecular weight of 293.37 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-one is sourced from PubChem (CID 58724374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).