9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

C17H15NO2 — CID 14592315

IUPAC9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCc1ccc(C23OCCN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C17H15NO2/c1-12-6-8-13(9-7-12)17-15-5-3-2-4-14(15)16(19)18(17)10-11-20-17/h2-9H,10-11H2,1H3
InChIKeyUIOQGYSSTFIFHH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.68
Rot. Bonds1

About 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 14592315) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID14592315
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCc1ccc(C23OCCN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C17H15NO2/c1-12-6-8-13(9-7-12)17-15-5-3-2-4-14(15)16(19)18(17)10-11-20-17/h2-9H,10-11H2,1H3
InChIKeyUIOQGYSSTFIFHH-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 14592315) is 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is Cc1ccc(C23OCCN2C(=O)c2ccccc23)cc1.
What is the InChIKey of 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is UIOQGYSSTFIFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-6-8-13(9-7-12)17-15-5-3-2-4-14(15)16(19)18(17)10-11-20-17/h2-9H,10-11H2,1H3.
What are the key properties of 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 265.31 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 14592315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).