3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione

C13H10N4O3 — CID 164736995

IUPAC3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(c2noc3ccc4[nH]ncc4c23)C(=O)N1
InChIInChI=1S/C13H10N4O3/c18-10-4-1-6(13(19)15-10)12-11-7-5-14-16-8(7)2-3-9(11)20-17-12/h2-3,5-6H,1,4H2,(H,14,16)(H,15,18,19)
InChIKeyJSESHMIQPNXDCH-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.22
Rot. Bonds1

About 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione

3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione (PubChem CID 164736995) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
PubChem CID164736995
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC Name3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(c2noc3ccc4[nH]ncc4c23)C(=O)N1
InChIInChI=1S/C13H10N4O3/c18-10-4-1-6(13(19)15-10)12-11-7-5-14-16-8(7)2-3-9(11)20-17-12/h2-3,5-6H,1,4H2,(H,14,16)(H,15,18,19)
InChIKeyJSESHMIQPNXDCH-UHFFFAOYSA-N
XLogP1.22
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(7-bromobenzo[e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 163969965
(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione
CID 164736981
1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazole-7-carbaldehyde
CID 166648979
3-(6-piperazin-1-ylbenzo[e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 167237945
N-[1-[(3S)-2,6-dioxopiperidin-3-yl]benzo[e][1,2]benzoxazol-7-yl]acetamide
CID 166649115
N-[1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazol-7-yl]-N-methylsulfonylmethanesulfonamide
CID 167000987
(3R)-3-[7-[(dimethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167001494
(3R)-3-[7-(difluoromethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 166649093
3-[7-(4,4-dimethylpentanoyl)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 164995141
(3R)-3-[7-(2-pyrrolidin-1-ylethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167000970
3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten
CID 165014672
(3S)-3-[7-[(2-methoxyethylamino)methyl]benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 167001174

Frequently Asked Questions

What is the IUPAC name of 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione (CID 164736995) is 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione is O=C1CCC(c2noc3ccc4[nH]ncc4c23)C(=O)N1.
What is the InChIKey of 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione?
The InChIKey is JSESHMIQPNXDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-10-4-1-6(13(19)15-10)12-11-7-5-14-16-8(7)2-3-9(11)20-17-12/h2-3,5-6H,1,4H2,(H,14,16)(H,15,18,19).
What are the key properties of 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione?
3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione has a molecular weight of 270.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 164736995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).