(3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

C16H13NO2 — CID 15305241

IUPAC(3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2[C@H]2OC[C@H](c3ccccc3)N12
InChIInChI=1S/C16H13NO2/c18-15-12-8-4-5-9-13(12)16-17(15)14(10-19-16)11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-,16-/m1/s1
InChIKeyLWFJSVCUHMPYEM-GDBMZVCRSA-N
MW251.29 g/mol
LogP2.91
Rot. Bonds1

About (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

(3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 15305241) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name(3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID15305241
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name(3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2[C@H]2OC[C@H](c3ccccc3)N12
InChIInChI=1S/C16H13NO2/c18-15-12-8-4-5-9-13(12)16-17(15)14(10-19-16)11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-,16-/m1/s1
InChIKeyLWFJSVCUHMPYEM-GDBMZVCRSA-N
XLogP2.91
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,6aS)-5-phenyl-5,6a-dihydroisoindolo[2,3-a][3,1]benzoxazin-11-one
CID 15535030
N-[(2R,4S,10bS)-6-oxo-4-phenyl-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-2-yl]acetamide
CID 72722563
(3S,7S,7aR)-7-methyl-3-phenyl-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 10443341
(3R,8R)-3,8-diphenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 58592944
6,6-dimethyl-3-phenyl-2,3,5,7a-tetrahydropyrazolo[5,1-b][1,3]oxazol-7-one
CID 57314163
(3S,6S,7S,7aR)-7-amino-6-hydroxy-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 70650596
(3R,6S,7S,7aS)-6,7-dimethyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 11218500
(2R,4R)-3-benzhydryl-2,4-diphenyl-1,3-oxazolidine
CID 10548499
(11R,14S)-14,16-diphenyl-12-oxa-2,15-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,16-hexaene
CID 102126374
(3R,6R,8aS)-6-benzyl-3-phenyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102383128
(2S,9bS)-2-methyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 10773997
(3S,8aR)-3-phenyl-6-prop-2-enyl-2,3,6,7,8,8a-hexahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 16724684

Frequently Asked Questions

What is the IUPAC name of (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 15305241) is (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2[C@H]2OC[C@H](c3ccccc3)N12.
What is the InChIKey of (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is LWFJSVCUHMPYEM-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H13NO2/c18-15-12-8-4-5-9-13(12)16-17(15)14(10-19-16)11-6-2-1-3-7-11/h1-9,14,16H,10H2/t14-,16-/m1/s1.
What are the key properties of (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
(3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 251.29 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,9bR)-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 15305241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).