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

C19H18N4O6 — CID 167878585

IUPAC2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1
InChIInChI=1S/C19H18N4O6/c1-10-6-15(22-29-10)20-17(25)9-28-12-2-3-13-11(7-12)8-23(19(13)27)14-4-5-16(24)21-18(14)26/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,20,22,25)(H,21,24,26)
InChIKeyNEFVBJWETZIDEC-UHFFFAOYSA-N
MW398.38 g/mol
LogP0.76
Rot. Bonds5

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

2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 167878585) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID167878585
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1
InChIInChI=1S/C19H18N4O6/c1-10-6-15(22-29-10)20-17(25)9-28-12-2-3-13-11(7-12)8-23(19(13)27)14-4-5-16(24)21-18(14)26/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,20,22,25)(H,21,24,26)
InChIKeyNEFVBJWETZIDEC-UHFFFAOYSA-N
XLogP0.76
TPSA130.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-phenylacetamide
CID 166426637
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(3-sulfamoylphenyl)acetamide
CID 166426639
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-[2-(3-methylbutoxy)ethyl]acetamide
CID 166910030
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836
3-[6-[(4-methylcyclohexyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155331384
3-[6-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165380108
methyl 2-[3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-1,2-oxazol-5-yl]acetate
CID 177241489
3-[6-[[(2S)-1-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501069
3-[3-oxo-6-(2-piperidin-1-ylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166875832
N-[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]hexyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 156792030
3-[3-oxo-6-[[1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidin-2-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501049
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 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) is 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)COc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1.
What is the InChIKey of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is NEFVBJWETZIDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-10-6-15(22-29-10)20-17(25)9-28-12-2-3-13-11(7-12)8-23(19(13)27)14-4-5-16(24)21-18(14)26/h2-3,6-7,14H,4-5,8-9H2,1H3,(H,20,22,25)(H,21,24,26).
What are the key properties of 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 398.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]oxy]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 167878585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).