3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione

C12H12N2O4 — CID 166994674

IUPAC3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2c3ccccc3OC2O)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-10-6-5-8(11(16)13-10)14-7-3-1-2-4-9(7)18-12(14)17/h1-4,8,12,17H,5-6H2,(H,13,15,16)
InChIKeyHPDJYWKCYRDHMT-UHFFFAOYSA-N
MW248.24 g/mol
LogP-0.03
Rot. Bonds1

About 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione

3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione (PubChem CID 166994674) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
PubChem CID166994674
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2c3ccccc3OC2O)C(=O)N1
InChIInChI=1S/C12H12N2O4/c15-10-6-5-8(11(16)13-10)14-7-3-1-2-4-9(7)18-12(14)17/h1-4,8,12,17H,5-6H2,(H,13,15,16)
InChIKeyHPDJYWKCYRDHMT-UHFFFAOYSA-N
XLogP-0.03
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 5-0.03
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

3-(7-ethyl-2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 156860734
3-(1-hydroxy-3-oxo-7-piperazin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167190475
3-(4-amino-2-hydroxy-3-methyl-2H-benzimidazol-1-yl)piperidine-2,6-dione
CID 156533490
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
3-spiro[2H-indole-3,4'-piperidine]-1-ylpiperidine-2,6-dione
CID 177175702
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
(1S,5R)-3-[(3R)-2,6-dioxopiperidin-3-yl]-3-azabicyclo[3.2.0]heptane-2,4-dione
CID 139075948
(3R)-3-(2,5-dioxopyrrolidin-1-yl)piperidine-2,6-dione
CID 121493318
3-(2,5-dihydroxy-3-phenyl-2,5-dihydropyrrol-1-yl)piperidine-2,6-dione
CID 167439219
3-(4-propan-2-yl-2,3-dihydroquinoxalin-1-yl)piperidine-2,6-dione
CID 170625595

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione (CID 166994674) is 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione is O=C1CCC(N2c3ccccc3OC2O)C(=O)N1.
What is the InChIKey of 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The InChIKey is HPDJYWKCYRDHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-10-6-5-8(11(16)13-10)14-7-3-1-2-4-9(7)18-12(14)17/h1-4,8,12,17H,5-6H2,(H,13,15,16).
What are the key properties of 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione has a molecular weight of 248.24 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-2H-1,3-benzoxazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 166994674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).