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

C12H11N3O4 — CID 170777922

IUPAC3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESNc1ccc2c(c1)oc(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C12H11N3O4/c13-6-1-2-7-9(5-6)19-12(18)15(7)8-3-4-10(16)14-11(8)17/h1-2,5,8H,3-4,13H2,(H,14,16,17)
InChIKeyOIDDSTZQOCVGEM-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.15
Rot. Bonds1

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

3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione (PubChem CID 170777922) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
PubChem CID170777922
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
SMILESNc1ccc2c(c1)oc(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C12H11N3O4/c13-6-1-2-7-9(5-6)19-12(18)15(7)8-3-4-10(16)14-11(8)17/h1-2,5,8H,3-4,13H2,(H,14,16,17)
InChIKeyOIDDSTZQOCVGEM-UHFFFAOYSA-N
XLogP0.15
TPSA107.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-methylsulfanyl-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155484473
3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 156858542
(3S)-3-[6-(2-methylbutan-2-yl)-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione;molecular hydrogen
CID 163252926
3-[6-[1-(4-methylcyclohexyl)piperidin-4-yl]-2-oxo-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172589997
3-(6-amino-2-oxo-3H-benzimidazol-1-yl)piperidine-2,6-dione
CID 110491555
2-methylbutane;3-(2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 167594496
tert-butyl (E)-3-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]prop-2-enoate
CID 177301843
3-[2-oxo-6-[1-(piperidin-4-ylmethyl)piperidin-4-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172592649
3-[2-oxo-6-[4-(2-piperazin-1-ylethyl)piperidin-1-yl]-1,3-benzoxazol-3-yl]piperidine-2,6-dione
CID 172591531
3-(7-bromo-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 138695883
3-(7-hydroxy-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione
CID 155177543
tert-butyl 4-[3-(2,6-dioxopiperidin-3-yl)-2-oxo-1,3-benzoxazol-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 156508255

Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione (CID 170777922) is 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione is Nc1ccc2c(c1)oc(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
The InChIKey is OIDDSTZQOCVGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c13-6-1-2-7-9(5-6)19-12(18)15(7)8-3-4-10(16)14-11(8)17/h1-2,5,8H,3-4,13H2,(H,14,16,17).
What are the key properties of 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione?
3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione has a molecular weight of 261.24 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-2-oxo-1,3-benzoxazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 170777922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).