3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione

C12H10N2O5 — CID 155177543

IUPAC3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)oc3c(O)cccc32)C(=O)N1
InChIInChI=1S/C12H10N2O5/c15-8-3-1-2-6-10(8)19-12(18)14(6)7-4-5-9(16)13-11(7)17/h1-3,7,15H,4-5H2,(H,13,16,17)
InChIKeyXCDLPSXDVANXRJ-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.28
Rot. Bonds1

About 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione

3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione (PubChem CID 155177543) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
PubChem CID155177543
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESO=C1CCC(n2c(=O)oc3c(O)cccc32)C(=O)N1
InChIInChI=1S/C12H10N2O5/c15-8-3-1-2-6-10(8)19-12(18)14(6)7-4-5-9(16)13-11(7)17/h1-3,7,15H,4-5H2,(H,13,16,17)
InChIKeyXCDLPSXDVANXRJ-UHFFFAOYSA-N
XLogP0.28
TPSA101.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 138695883
3-[7-(hydroxymethyl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 171781790
1-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]azetidine-3-carbaldehyde
CID 168874674
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]piperazine-1-carboxylate
CID 170978800
3-(6-ethyl-7-fluoro-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 176558678
3-[7-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 176736401
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
tert-butyl N-[3-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]propyl]carbamate
CID 138694928
tert-butyl-[2-[2-[3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-7-yl]propoxy]ethoxy]ethyl]carbamic acid
CID 138695486
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 170777922
3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
(3S)-3-(3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 166733310

Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione (CID 155177543) is 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione is O=C1CCC(n2c(=O)oc3c(O)cccc32)C(=O)N1.
What is the InChIKey of 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The InChIKey is XCDLPSXDVANXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c15-8-3-1-2-6-10(8)19-12(18)14(6)7-4-5-9(16)13-11(7)17/h1-3,7,15H,4-5H2,(H,13,16,17).
What are the key properties of 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione has a molecular weight of 262.22 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 155177543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).