10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

C18H17NO2 — CID 14592322

IUPAC10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESCc1ccc(C23OCCCN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C18H17NO2/c1-13-7-9-14(10-8-13)18-16-6-3-2-5-15(16)17(20)19(18)11-4-12-21-18/h2-3,5-10H,4,11-12H2,1H3
InChIKeyYZCJCWSEMROUFX-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.07
Rot. Bonds1

About 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one

10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (PubChem CID 14592322) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.

Molecular Properties

Compound Name10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
PubChem CID14592322
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESCc1ccc(C23OCCCN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C18H17NO2/c1-13-7-9-14(10-8-13)18-16-6-3-2-5-15(16)17(20)19(18)11-4-12-21-18/h2-3,5-10H,4,11-12H2,1H3
InChIKeyYZCJCWSEMROUFX-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9b-phenyl-2,3-dihydro[1,3]oxazolo[2,3-a]isoindol-5(9bH)-one
CID 455106
3-Hydroxy-3-benzyl-2-prop-2-enylisoindolin-1-one
CID 2957302
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
3-Benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindolin-1-one
CID 623769
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
3-Benzyl-2-cyclohexyl-3-hydroxy-1-isoindolinone
CID 2955856
1'-Benzyl-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one
CID 10266406
3-[3-(4-benzylpiperazin-1-yl)propyl]-3H-2-benzofuran-1-one
CID 141736896
3-Hydroxy-3-phenyl-2-(2-phenylethyl)-1-isoindolinone
CID 2974992
MS-2764
CID 3796131
10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 455110
Isoindolinone scaffold, 53
CID 16090405

Frequently Asked Questions

What is the IUPAC name of 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The IUPAC name of 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one (CID 14592322) is 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one.
What is the SMILES notation for 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The canonical SMILES for 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is Cc1ccc(C23OCCCN2C(=O)c2ccccc23)cc1.
What is the InChIKey of 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The InChIKey is YZCJCWSEMROUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13-7-9-14(10-8-13)18-16-6-3-2-5-15(16)17(20)19(18)11-4-12-21-18/h2-3,5-10H,4,11-12H2,1H3.
What are the key properties of 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one has a molecular weight of 279.34 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-(4-methylphenyl)-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one is sourced from PubChem (CID 14592322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).