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

C18H15NO2 — CID 11219647

IUPAC10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESCc1ccc(C23OCC=CN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C18H15NO2/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/h2-11H,12H2,1H3
InChIKeyROLOFJSUZRICDF-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.20
Rot. Bonds1

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

10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one (PubChem CID 11219647) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one.

Molecular Properties

Compound Name10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one
PubChem CID11219647
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one
SMILESCc1ccc(C23OCC=CN2C(=O)c2ccccc23)cc1
InChIInChI=1S/C18H15NO2/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/h2-11H,12H2,1H3
InChIKeyROLOFJSUZRICDF-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.20
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
1-[2-[4-[(Dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71731806
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
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
MS-2764
CID 3796131
(3S)-3-methyl-9b-phenyl-2,3-dihydrooxazolo[2,3-a]isoindol-5-one
CID 455114
Thiazoloisoindol-5-one deriv. 42
CID 455115
10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 455110
Isoindolinone scaffold, 53
CID 16090405
Isoindolinone scaffold, 65
CID 16090412
Isoindolinone scaffold, 13
CID 16090434

Frequently Asked Questions

What is the IUPAC name of 10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The IUPAC name of 10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one (CID 11219647) is 10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one.
What is the SMILES notation for 10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The canonical SMILES for 10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one is Cc1ccc(C23OCC=CN2C(=O)c2ccccc23)cc1.
What is the InChIKey of 10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
The InChIKey is ROLOFJSUZRICDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/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/h2-11H,12H2,1H3.
What are the key properties of 10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one?
10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one has a molecular weight of 277.32 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10b-(4-methylphenyl)-2H-[1,3]oxazino[2,3-a]isoindol-6-one is sourced from PubChem (CID 11219647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).