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

C17H15NO2 — CID 14320792

IUPAC3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2OCC(Cc3ccccc3)N12
InChIInChI=1S/C17H15NO2/c19-16-14-8-4-5-9-15(14)17-18(16)13(11-20-17)10-12-6-2-1-3-7-12/h1-9,13,17H,10-11H2
InChIKeyHKYZORIGQNIHOO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.78
Rot. Bonds2

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

3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 14320792) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID14320792
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2OCC(Cc3ccccc3)N12
InChIInChI=1S/C17H15NO2/c19-16-14-8-4-5-9-15(14)17-18(16)13(11-20-17)10-12-6-2-1-3-7-12/h1-9,13,17H,10-11H2
InChIKeyHKYZORIGQNIHOO-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 14320792) is 3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2OCC(Cc3ccccc3)N12.
What is the InChIKey of 3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is HKYZORIGQNIHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-16-14-8-4-5-9-15(14)17-18(16)13(11-20-17)10-12-6-2-1-3-7-12/h1-9,13,17H,10-11H2.
What are the key properties of 3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 265.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 14320792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).