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

C16H13NO2 — CID 3692665

IUPAC3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2OCC(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
InChIKeyLWFJSVCUHMPYEM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.91
Rot. Bonds1

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

3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 3692665) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID3692665
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2OCC(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
InChIKeyLWFJSVCUHMPYEM-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 3692665) is 3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2OCC(c3ccccc3)N12.
What is the InChIKey of 3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is LWFJSVCUHMPYEM-UHFFFAOYSA-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.
What are the key properties of 3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
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 3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 3692665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).