N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide

C13H11N3O4 — CID 154810751

IUPACN-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc3ocnc3c2)C(=O)N1
InChIInChI=1S/C13H11N3O4/c17-11-4-2-8(13(19)16-11)15-12(18)7-1-3-10-9(5-7)14-6-20-10/h1,3,5-6,8H,2,4H2,(H,15,18)(H,16,17,19)
InChIKeyXFOPCIRQHUHRPJ-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.36
Rot. Bonds2

About N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide

N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide (PubChem CID 154810751) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide
PubChem CID154810751
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide
SMILESO=C1CCC(NC(=O)c2ccc3ocnc3c2)C(=O)N1
InChIInChI=1S/C13H11N3O4/c17-11-4-2-8(13(19)16-11)15-12(18)7-1-3-10-9(5-7)14-6-20-10/h1,3,5-6,8H,2,4H2,(H,15,18)(H,16,17,19)
InChIKeyXFOPCIRQHUHRPJ-UHFFFAOYSA-N
XLogP0.36
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.36
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

N-(2,6-dioxopiperidin-3-yl)-2-pyridin-2-yl-1,3-benzoxazole-5-carboxamide
CID 154810892
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882
2-cyclopropyl-N-(2,6-dioxopiperidin-3-yl)pyridine-4-carboxamide
CID 127816376
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
N-(2,6-dioxopiperidin-3-yl)-4-fluoro-3-methoxybenzamide
CID 81285163
N-(2,6-dioxopiperidin-3-yl)-4-nitrobenzamide
CID 10378768
N-(2,6-dioxopiperidin-3-yl)-6-(4-oxopiperidin-1-yl)pyridine-3-carboxamide
CID 176705465
N-(2-azabicyclo[2.2.1]heptan-6-yl)-1,3-benzoxazole-5-carboxamide
CID 10214645
N-(2,6-dioxopiperidin-3-yl)-4-propylbenzamide
CID 168945690
N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355
2-chloro-N-(2,6-dioxopiperidin-3-yl)furan-3-carboxamide
CID 106686964
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide (CID 154810751) is N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide is O=C1CCC(NC(=O)c2ccc3ocnc3c2)C(=O)N1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide?
The InChIKey is XFOPCIRQHUHRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c17-11-4-2-8(13(19)16-11)15-12(18)7-1-3-10-9(5-7)14-6-20-10/h1,3,5-6,8H,2,4H2,(H,15,18)(H,16,17,19).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide has a molecular weight of 273.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 154810751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).