methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate

C19H17N3O6 — CID 177241489

IUPACmethyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate
SMILESCOC(=O)Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1
InChIInChI=1S/C19H17N3O6/c1-27-17(24)8-12-7-14(21-28-12)10-2-3-13-11(6-10)9-22(19(13)26)15-4-5-16(23)20-18(15)25/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,20,23,25)
InChIKeyHIWJXGCWEFNPIM-UHFFFAOYSA-N
MW383.36 g/mol
LogP0.82
Rot. Bonds4

About methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate

methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate (PubChem CID 177241489) has the molecular formula C19H17N3O6 and a molecular weight of 383.36 g/mol. Its IUPAC name is methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate
PubChem CID177241489
Molecular FormulaC19H17N3O6
Molecular Weight383.36 g/mol
Exact Mass383.11
IUPAC Namemethyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate
SMILESCOC(=O)Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1
InChIInChI=1S/C19H17N3O6/c1-27-17(24)8-12-7-14(21-28-12)10-2-3-13-11(6-10)9-22(19(13)26)15-4-5-16(23)20-18(15)25/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,20,23,25)
InChIKeyHIWJXGCWEFNPIM-UHFFFAOYSA-N
XLogP0.82
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate with MolForge

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Related Compounds

3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177240938
methyl 6-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylpyridine-3-carboxylate
CID 167906136
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 167878585
3-[6-(6-methoxypyridazin-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 167764254
3-[6-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167935400
3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167941117
3-[6-(6-ethoxypyrazin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167854838
3-[6-[1-methyl-2-(4-methylcyclohexyl)imidazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577588
methyl 2-(2,6-dioxopiperidin-3-yl)-6-(hydroxymethyl)-1-oxo-3H-isoindole-5-carboxylate
CID 171588190
3-[6-[3-[5-(difluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241369
methyl 2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]triazol-4-yl]pyrazol-1-yl]acetate
CID 176972047

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate?
The IUPAC name of methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate (CID 177241489) is methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate.
What is the SMILES notation for methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate?
The canonical SMILES for methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate is COC(=O)Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1.
What is the InChIKey of methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate?
The InChIKey is HIWJXGCWEFNPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O6/c1-27-17(24)8-12-7-14(21-28-12)10-2-3-13-11(6-10)9-22(19(13)26)15-4-5-16(23)20-18(15)25/h2-3,6-7,15H,4-5,8-9H2,1H3,(H,20,23,25).
What are the key properties of methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate?
methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate has a molecular weight of 383.36 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate is sourced from PubChem (CID 177241489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).