9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

C16H12ClNO2 — CID 14592317

IUPAC9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc(Cl)c3)OCCN12
InChIInChI=1S/C16H12ClNO2/c17-12-5-3-4-11(10-12)16-14-7-2-1-6-13(14)15(19)18(16)8-9-20-16/h1-7,10H,8-9H2
InChIKeyZLAFAUNSFKPIJN-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.03
Rot. Bonds1

About 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 14592317) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID14592317
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC Name9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc(Cl)c3)OCCN12
InChIInChI=1S/C16H12ClNO2/c17-12-5-3-4-11(10-12)16-14-7-2-1-6-13(14)15(19)18(16)8-9-20-16/h1-7,10H,8-9H2
InChIKeyZLAFAUNSFKPIJN-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9b-(3-chlorophenyl)-2,3-dihydro-[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

Frequently Asked Questions

What is the IUPAC name of 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 14592317) is 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2(c3cccc(Cl)c3)OCCN12.
What is the InChIKey of 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is ZLAFAUNSFKPIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-12-5-3-4-11(10-12)16-14-7-2-1-6-13(14)15(19)18(16)8-9-20-16/h1-7,10H,8-9H2.
What are the key properties of 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 285.73 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(3-chlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 14592317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).