(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione

C14H10N2O4 — CID 164736981

IUPAC(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione
SMILESO=C1CC[C@H](c2noc3ccc4ccoc4c23)C(=O)N1
InChIInChI=1S/C14H10N2O4/c17-10-4-2-8(14(18)15-10)12-11-9(20-16-12)3-1-7-5-6-19-13(7)11/h1,3,5-6,8H,2,4H2,(H,15,17,18)/t8-/m1/s1
InChIKeySZPDARPWHGUKQJ-MRVPVSSYSA-N
MW270.24 g/mol
LogP2.09
Rot. Bonds1

About (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione

(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione (PubChem CID 164736981) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione
PubChem CID164736981
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC Name(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione
SMILESO=C1CC[C@H](c2noc3ccc4ccoc4c23)C(=O)N1
InChIInChI=1S/C14H10N2O4/c17-10-4-2-8(14(18)15-10)12-11-9(20-16-12)3-1-7-5-6-19-13(7)11/h1,3,5-6,8H,2,4H2,(H,15,17,18)/t8-/m1/s1
InChIKeySZPDARPWHGUKQJ-MRVPVSSYSA-N
XLogP2.09
TPSA85.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione with MolForge

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Related Compounds

(3S)-3-(7-bromobenzo[e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 163969965
1-(2,6-dioxopiperidin-3-yl)benzo[e][1,2]benzoxazole-7-carbaldehyde
CID 166648979
3-(6H-pyrazolo[4,5-e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 164736995
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-(6-piperazin-1-ylbenzo[e][1,2]benzoxazol-1-yl)piperidine-2,6-dione
CID 167237945
3-benzo[f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;carbanide;tungsten
CID 165014672
3-[7-(2-piperazin-1-ylethoxy)benzo[e][1,2]benzoxazol-1-yl]piperidine-2,6-dione
CID 166648831

Frequently Asked Questions

What is the IUPAC name of (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione?
The IUPAC name of (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione (CID 164736981) is (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione.
What is the SMILES notation for (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione?
The canonical SMILES for (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione is O=C1CC[C@H](c2noc3ccc4ccoc4c23)C(=O)N1.
What is the InChIKey of (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione?
The InChIKey is SZPDARPWHGUKQJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-10-4-2-8(14(18)15-10)12-11-9(20-16-12)3-1-7-5-6-19-13(7)11/h1,3,5-6,8H,2,4H2,(H,15,17,18)/t8-/m1/s1.
What are the key properties of (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione?
(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione has a molecular weight of 270.24 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione is sourced from PubChem (CID 164736981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).