N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide

C15H11N3O4 — CID 2811620

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc2nonc2c1
InChIInChI=1S/C15H11N3O4/c19-15(9-1-3-11-12(7-9)18-22-17-11)16-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,16,19)
InChIKeyXGFPBJKIEKGPDT-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.25
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide (PubChem CID 2811620) has the molecular formula C15H11N3O4 and a molecular weight of 297.27 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide
PubChem CID2811620
Molecular FormulaC15H11N3O4
Molecular Weight297.27 g/mol
Exact Mass297.07
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCCO2)c1ccc2nonc2c1
InChIInChI=1S/C15H11N3O4/c19-15(9-1-3-11-12(7-9)18-22-17-11)16-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,16,19)
InChIKeyXGFPBJKIEKGPDT-UHFFFAOYSA-N
XLogP2.25
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide (CID 2811620) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nonc2c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide?
The InChIKey is XGFPBJKIEKGPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O4/c19-15(9-1-3-11-12(7-9)18-22-17-11)16-10-2-4-13-14(8-10)21-6-5-20-13/h1-4,7-8H,5-6H2,(H,16,19).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide has a molecular weight of 297.27 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,1,3-benzoxadiazole-5-carboxamide is sourced from PubChem (CID 2811620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).