(3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one

C19H19NO2 — CID 101168164

IUPAC(3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESO=C1CCC[C@]2(c3ccccc3)OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C19H19NO2/c21-18-12-7-13-19(16-10-5-2-6-11-16)20(18)17(14-22-19)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2/t17-,19+/m0/s1
InChIKeyXBWSXNVXBJFFOM-PKOBYXMFSA-N
MW293.37 g/mol
LogP3.62
Rot. Bonds2

About (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one

(3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one (PubChem CID 101168164) has the molecular formula C19H19NO2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one.

Molecular Properties

Compound Name(3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
PubChem CID101168164
Molecular FormulaC19H19NO2
Molecular Weight293.37 g/mol
Exact Mass293.14
IUPAC Name(3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
SMILESO=C1CCC[C@]2(c3ccccc3)OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C19H19NO2/c21-18-12-7-13-19(16-10-5-2-6-11-16)20(18)17(14-22-19)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2/t17-,19+/m0/s1
InChIKeyXBWSXNVXBJFFOM-PKOBYXMFSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one with MolForge

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Related Compounds

benzyl (1R)-1-[(2R)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 9819835
Benzyl 3-benzyl-5-oxo-1,2,6,7,8,8a-hexahydroindolizine-3-carboxylate
CID 70692143
benzyl (1S)-1-[(2S)-5-oxooxolan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 10043529
2H,6H-Pyrido(2,1-b)(1,3)oxazin-6-one, 3,4,7,8,9,9a-hexahydro-9a-phenyl-
CID 201902
2H-Pyrrolo(2,1-b)(1,3)oxazin-6-one, 3,4,6,7,8,8a-hexahydro-8a-phenyl-
CID 201903
8a-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 12278702
(8aR)-8a-(4-phenoxyphenyl)-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 44360562
(1S,7S,9R)-7-phenyl-8-oxa-2-azatetracyclo[7.7.0.02,7.011,16]hexadeca-11,13,15-trien-3-one
CID 162677027
(2R,3R,8aS)-3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 736006
(2S-(2alpha,3beta,8abeta))-(+)-Hexahydro-3-(hydroxymethyl)-8a-methyl-2-phenyl-5H-oxazolo(3,2-a)pyridin-5-one
CID 3687915
(3R,8aS)-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10856922
8a-ethyl-3-(hydroxymethyl)-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 359372

Frequently Asked Questions

What is the IUPAC name of (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one?
The IUPAC name of (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one (CID 101168164) is (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one.
What is the SMILES notation for (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one?
The canonical SMILES for (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one is O=C1CCC[C@]2(c3ccccc3)OC[C@@H](c3ccccc3)N12.
What is the InChIKey of (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one?
The InChIKey is XBWSXNVXBJFFOM-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H19NO2/c21-18-12-7-13-19(16-10-5-2-6-11-16)20(18)17(14-22-19)15-8-3-1-4-9-15/h1-6,8-11,17H,7,12-14H2/t17-,19+/m0/s1.
What are the key properties of (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one?
(3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one has a molecular weight of 293.37 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8aR)-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one is sourced from PubChem (CID 101168164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).