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

C17H16N4O4 — CID 171809218

IUPAC3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCc1cc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)on1
InChIInChI=1S/C17H16N4O4/c18-7-9-6-14(25-20-9)10-2-1-3-11-12(10)8-21(17(11)24)13-4-5-15(22)19-16(13)23/h1-3,6,13H,4-5,7-8,18H2,(H,19,22,23)
InChIKeyGCSZOOHOXNPRPW-UHFFFAOYSA-N
MW340.34 g/mol
LogP0.56
Rot. Bonds3

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

3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 171809218) has the molecular formula C17H16N4O4 and a molecular weight of 340.34 g/mol. Its IUPAC name is 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID171809218
Molecular FormulaC17H16N4O4
Molecular Weight340.34 g/mol
Exact Mass340.12
IUPAC Name3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNCc1cc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)on1
InChIInChI=1S/C17H16N4O4/c18-7-9-6-14(25-20-9)10-2-1-3-11-12(10)8-21(17(11)24)13-4-5-15(22)19-16(13)23/h1-3,6,13H,4-5,7-8,18H2,(H,19,22,23)
InChIKeyGCSZOOHOXNPRPW-UHFFFAOYSA-N
XLogP0.56
TPSA118.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
3-[7-(aminomethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 69327564
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
3-[7-[4-(hydroxymethyl)phenyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167940424
3-[7-(2-aminoethylsulfonyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 151618379
3-[7-(3-aminoprop-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;hydrochloride
CID 155292346
2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]sulfanyl]acetamide
CID 154689467
3-[7-(3-methylthiophen-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166416335
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 130431899
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936
3-[7-[[1-(aminomethyl)-2-azabicyclo[3.1.1]heptan-2-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167739144
3-[7-[[(2-amino-1,3-thiazol-5-yl)methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167725426

Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 171809218) is 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is NCc1cc(-c2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)on1.
What is the InChIKey of 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is GCSZOOHOXNPRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4/c18-7-9-6-14(25-20-9)10-2-1-3-11-12(10)8-21(17(11)24)13-4-5-15(22)19-16(13)23/h1-3,6,13H,4-5,7-8,18H2,(H,19,22,23).
What are the key properties of 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 340.34 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-(aminomethyl)-1,2-oxazol-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 171809218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).