(3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione

C103H75N15O25 — CID 165010556

IUPAC(3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione
SMILESO=C1CC[C@@H](c2noc3cc4ncccc4cc23)C(=O)N1.O=C1CC[C@@H](c2noc3cc4occc4cc23)C(=O)N1.O=C1CC[C@@H](c2noc3ccc4ccccc4c23)C(=O)N1.O=C1CC[C@@H](c2noc3ccc4ccoc4c23)C(=O)N1.O=C1CC[C@H](c2noc3cc4occc4cc23)C(=O)N1.O=C1CC[C@H](c2noc3ccc4ccccc4c23)C(=O)N1.O=C1CC[C@H](c2noc3ccc4ccoc4c23)C(=O)N1
InChIInChI=1S/2C16H12N2O3.C15H11N3O3.4C14H10N2O4/c2*19-13-8-6-11(16(20)17-13)15-14-10-4-2-1-3-9(10)5-7-12(14)21-18-15;19-13-4-3-9(15(20)17-13)14-10-6-8-2-1-5-16-11(8)7-12(10)21-18-14;2*17-10-4-2-8(14(18)15-10)12-11-9(20-16-12)3-1-7-5-6-19-13(7)11;2*17-12-2-1-8(14(18)15-12)13-9-5-7-3-4-19-10(7)6-11(9)20-16-13/h2*1-5,7,11H,6,8H2,(H,17,19,20);1-2,5-7,9H,3-4H2,(H,17,19,20);2*1,3,5-6,8H,2,4H2,(H,15,17,18);2*3-6,8H,1-2H2,(H,15,17,18)/t2*11-;9-;4*8-/m1001010/s1
InChIKeyJQFNDBOCHWSWHT-ISOKUSBMSA-N
MW1922.81 g/mol
LogP15.28
Rot. Bonds7

About (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione

(3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione (PubChem CID 165010556) has the molecular formula C103H75N15O25 and a molecular weight of 1922.81 g/mol. Its IUPAC name is (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione
PubChem CID165010556
Molecular FormulaC103H75N15O25
Molecular Weight1922.81 g/mol
Exact Mass1921.51
IUPAC Name(3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione
SMILESO=C1CC[C@@H](c2noc3cc4ncccc4cc23)C(=O)N1.O=C1CC[C@@H](c2noc3cc4occc4cc23)C(=O)N1.O=C1CC[C@@H](c2noc3ccc4ccccc4c23)C(=O)N1.O=C1CC[C@@H](c2noc3ccc4ccoc4c23)C(=O)N1.O=C1CC[C@H](c2noc3cc4occc4cc23)C(=O)N1.O=C1CC[C@H](c2noc3ccc4ccccc4c23)C(=O)N1.O=C1CC[C@H](c2noc3ccc4ccoc4c23)C(=O)N1
InChIInChI=1S/2C16H12N2O3.C15H11N3O3.4C14H10N2O4/c2*19-13-8-6-11(16(20)17-13)15-14-10-4-2-1-3-9(10)5-7-12(14)21-18-15;19-13-4-3-9(15(20)17-13)14-10-6-8-2-1-5-16-11(8)7-12(10)21-18-14;2*17-10-4-2-8(14(18)15-10)12-11-9(20-16-12)3-1-7-5-6-19-13(7)11;2*17-12-2-1-8(14(18)15-12)13-9-5-7-3-4-19-10(7)6-11(9)20-16-13/h2*1-5,7,11H,6,8H2,(H,17,19,20);1-2,5-7,9H,3-4H2,(H,17,19,20);2*1,3,5-6,8H,2,4H2,(H,15,17,18);2*3-6,8H,1-2H2,(H,15,17,18)/t2*11-;9-;4*8-/m1001010/s1
InChIKeyJQFNDBOCHWSWHT-ISOKUSBMSA-N
XLogP15.28
TPSA570.85 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds7
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001922.81
LogP ≤ 515.28
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

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

Analyze (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione?
The IUPAC name of (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione (CID 165010556) is (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione.
What is the SMILES notation for (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione?
The canonical SMILES for (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione is O=C1CC[C@@H](c2noc3cc4ncccc4cc23)C(=O)N1.O=C1CC[C@@H](c2noc3cc4occc4cc23)C(=O)N1.O=C1CC[C@@H](c2noc3ccc4ccccc4c23)C(=O)N1.O=C1CC[C@@H](c2noc3ccc4ccoc4c23)C(=O)N1.O=C1CC[C@H](c2noc3cc4occc4cc23)C(=O)N1.O=C1CC[C@H](c2noc3ccc4ccccc4c23)C(=O)N1.O=C1CC[C@H](c2noc3ccc4ccoc4c23)C(=O)N1.
What is the InChIKey of (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione?
The InChIKey is JQFNDBOCHWSWHT-ISOKUSBMSA-N. The full InChI is InChI=1S/2C16H12N2O3.C15H11N3O3.4C14H10N2O4/c2*19-13-8-6-11(16(20)17-13)15-14-10-4-2-1-3-9(10)5-7-12(14)21-18-15;19-13-4-3-9(15(20)17-13)14-10-6-8-2-1-5-16-11(8)7-12(10)21-18-14;2*17-10-4-2-8(14(18)15-10)12-11-9(20-16-12)3-1-7-5-6-19-13(7)11;2*17-12-2-1-8(14(18)15-12)13-9-5-7-3-4-19-10(7)6-11(9)20-16-13/h2*1-5,7,11H,6,8H2,(H,17,19,20);1-2,5-7,9H,3-4H2,(H,17,19,20);2*1,3,5-6,8H,2,4H2,(H,15,17,18);2*3-6,8H,1-2H2,(H,15,17,18)/t2*11-;9-;4*8-/m1001010/s1.
What are the key properties of (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione?
(3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione has a molecular weight of 1922.81 g/mol, XLogP of 15.28, 7 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3S)-3-benzo[e][1,2]benzoxazol-1-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3S)-3-furo[2,3-e][1,2]benzoxazol-8-ylpiperidine-2,6-dione;(3R)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-furo[3,2-f][1,2]benzoxazol-3-ylpiperidine-2,6-dione;(3S)-3-([1,2]oxazolo[4,5-g]quinolin-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 165010556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).