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

C17H15NO2 — CID 20800573

IUPAC8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCc1ccc2c(c1)C1OCC(c3ccccc3)N1C2=O
InChIInChI=1S/C17H15NO2/c1-11-7-8-13-14(9-11)17-18(16(13)19)15(10-20-17)12-5-3-2-4-6-12/h2-9,15,17H,10H2,1H3
InChIKeyILTAUOVWGCENAU-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.22
Rot. Bonds1

About 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one

8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 20800573) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID20800573
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCc1ccc2c(c1)C1OCC(c3ccccc3)N1C2=O
InChIInChI=1S/C17H15NO2/c1-11-7-8-13-14(9-11)17-18(16(13)19)15(10-20-17)12-5-3-2-4-6-12/h2-9,15,17H,10H2,1H3
InChIKeyILTAUOVWGCENAU-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 20800573) is 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is Cc1ccc2c(c1)C1OCC(c3ccccc3)N1C2=O.
What is the InChIKey of 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is ILTAUOVWGCENAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-11-7-8-13-14(9-11)17-18(16(13)19)15(10-20-17)12-5-3-2-4-6-12/h2-9,15,17H,10H2,1H3.
What are the key properties of 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 265.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 20800573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).