(3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one

C19H19NO2 — CID 10957325

IUPAC(3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESO=C1CC[C@@H](c2ccccc2)[C@@H]2OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C19H19NO2/c21-18-12-11-16(14-7-3-1-4-8-14)19-20(18)17(13-22-19)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2/t16-,17-,19-/m0/s1
InChIKeyMCXSUFHFWNLTDL-LNLFQRSKSA-N
MW293.37 g/mol
LogP3.49
Rot. Bonds2

About (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one

(3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one (PubChem CID 10957325) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name(3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
PubChem CID10957325
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESO=C1CC[C@@H](c2ccccc2)[C@@H]2OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C19H19NO2/c21-18-12-11-16(14-7-3-1-4-8-14)19-20(18)17(13-22-19)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2/t16-,17-,19-/m0/s1
InChIKeyMCXSUFHFWNLTDL-LNLFQRSKSA-N
XLogP3.49
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 ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8a-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 12278702
(4S)-4-phenyl-3-[(3R)-3-phenylbutanoyl]-1,3-oxazolidin-2-one
CID 10267335
(1S,4S,8R,8aR)-1,4-dibenzyl-8-[(1E)-buta-1,3-dienyl]-7-methylidene-4,6,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-one
CID 24066948
(3S,7aR,11aR)-3-isopropyl-9-[(4-phenylphenyl)methyl]-2,3,6,7,7a,8,10,11-octahydrooxazolo[2,3-j][1,6]naphthyridin-5-one
CID 172053907
(4R)-3-[(2R)-2-benzyl-3,3,3-trifluoropropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101535125
(4R)-3-[(2R)-2-cyclohexyl-3,3,3-trifluoropropanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101535127
(3R,8aS)-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10856922
methyl (3R,5aR,9aS,10aS)-7,8-dimethyl-5-oxo-3-phenyl-3,6,9,9a,10,10a-hexahydro-2H-[1,3]oxazolo[3,2-b]isoquinoline-5a-carboxylate
CID 11210462
methyl (3R,5aS,9aR,10aR)-7,8-dimethyl-5-oxo-3-phenyl-3,6,9,9a,10,10a-hexahydro-2H-[1,3]oxazolo[3,2-b]isoquinoline-5a-carboxylate
CID 101255112
(4S,7R,8R,8aS)-4,7,8-triphenyl-3,4,6,7,8,8a-hexahydropyrrolo[2,1-c][1,4]oxazin-1-one
CID 134865520
3-[3-(4-Fluorophenyl)butanoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 20587979
(3S,8aS)-8a-(4-fluoro-phenyl)-3-phenyl-hexahydro-oxazolo[3,2-a]pyridin-5-one
CID 58110194

Frequently Asked Questions

What is the IUPAC name of (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The IUPAC name of (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one (CID 10957325) is (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The canonical SMILES for (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one is O=C1CC[C@@H](c2ccccc2)[C@@H]2OC[C@@H](c3ccccc3)N12.
What is the InChIKey of (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
The InChIKey is MCXSUFHFWNLTDL-LNLFQRSKSA-N. The full InChI is InChI=1S/C19H19NO2/c21-18-12-11-16(14-7-3-1-4-8-14)19-20(18)17(13-22-19)15-9-5-2-6-10-15/h1-10,16-17,19H,11-13H2/t16-,17-,19-/m0/s1.
What are the key properties of (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one?
(3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one has a molecular weight of 293.37 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8S,8aS)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 10957325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).