3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C19H20N4O5 — CID 58388900

IUPAC3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNCc1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)on1
InChIInChI=1S/C19H20N4O5/c1-20-8-11-7-12(28-22-11)10-27-16-4-2-3-13-14(16)9-23(19(13)26)15-5-6-17(24)21-18(15)25/h2-4,7,15,20H,5-6,8-10H2,1H3,(H,21,24,25)
InChIKeyDCAWCCOECYAZIO-UHFFFAOYSA-N
MW384.39 g/mol
LogP0.73
Rot. Bonds6

About 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 58388900) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID58388900
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCNCc1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)on1
InChIInChI=1S/C19H20N4O5/c1-20-8-11-7-12(28-22-11)10-27-16-4-2-3-13-14(16)9-23(19(13)26)15-5-6-17(24)21-18(15)25/h2-4,7,15,20H,5-6,8-10H2,1H3,(H,21,24,25)
InChIKeyDCAWCCOECYAZIO-UHFFFAOYSA-N
XLogP0.73
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 58388900) is 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CNCc1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)on1.
What is the InChIKey of 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is DCAWCCOECYAZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-20-8-11-7-12(28-22-11)10-27-16-4-2-3-13-14(16)9-23(19(13)26)15-5-6-17(24)21-18(15)25/h2-4,7,15,20H,5-6,8-10H2,1H3,(H,21,24,25).
What are the key properties of 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 384.39 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[[3-(methylaminomethyl)-1,2-oxazol-5-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 58388900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).