3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C19H20N4O4 — CID 177240938

IUPAC3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1
InChIInChI=1S/C19H20N4O4/c1-22(2)10-13-8-15(21-27-13)11-3-4-14-12(7-11)9-23(19(14)26)16-5-6-17(24)20-18(16)25/h3-4,7-8,16H,5-6,9-10H2,1-2H3,(H,20,24,25)
InChIKeyLYKRYUIDFKSENT-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.16
Rot. Bonds4

About 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177240938) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177240938
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCN(C)Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1
InChIInChI=1S/C19H20N4O4/c1-22(2)10-13-8-15(21-27-13)11-3-4-14-12(7-11)9-23(19(14)26)16-5-6-17(24)20-18(16)25/h3-4,7-8,16H,5-6,9-10H2,1-2H3,(H,20,24,25)
InChIKeyLYKRYUIDFKSENT-UHFFFAOYSA-N
XLogP1.16
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

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-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[3-oxo-6-(2-propan-2-ylpyrazol-3-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166425756
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
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
3-[6-[3-[5-(difluoromethyl)-2-pyridinyl]-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241369
3-[6-(2-ethyl-1,2,4-triazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167762203
3-[3-oxo-6-(5-phenyl-1,2-oxazol-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075864
(3S)-3-[6-[1-(difluoromethyl)-5-phenylpyrazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177241035
3-[6-(5-benzyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 174263331
3-[6-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167935400

Frequently Asked Questions

What is the IUPAC name of 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177240938) is 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CN(C)Cc1cc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)no1.
What is the InChIKey of 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is LYKRYUIDFKSENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-22(2)10-13-8-15(21-27-13)11-3-4-14-12(7-11)9-23(19(14)26)16-5-6-17(24)20-18(16)25/h3-4,7-8,16H,5-6,9-10H2,1-2H3,(H,20,24,25).
What are the key properties of 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 368.39 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[5-[(dimethylamino)methyl]-1,2-oxazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177240938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).