N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide

C17H12N2O4 — CID 51153472

IUPACN-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3cc4ccccc4o3)cc2N1
InChIInChI=1S/C17H12N2O4/c20-16-9-22-14-6-5-11(8-12(14)19-16)18-17(21)15-7-10-3-1-2-4-13(10)23-15/h1-8H,9H2,(H,18,21)(H,19,20)
InChIKeyZLRNCQMZYFHGCV-UHFFFAOYSA-N
MW308.29 g/mol
LogP3.02
Rot. Bonds2

About N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide (PubChem CID 51153472) has the molecular formula C17H12N2O4 and a molecular weight of 308.29 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
PubChem CID51153472
Molecular FormulaC17H12N2O4
Molecular Weight308.29 g/mol
Exact Mass308.08
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
SMILESO=C1COc2ccc(NC(=O)c3cc4ccccc4o3)cc2N1
InChIInChI=1S/C17H12N2O4/c20-16-9-22-14-6-5-11(8-12(14)19-16)18-17(21)15-7-10-3-1-2-4-13(10)23-15/h1-8H,9H2,(H,18,21)(H,19,20)
InChIKeyZLRNCQMZYFHGCV-UHFFFAOYSA-N
XLogP3.02
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-N-(3-oxo-4H-1,4-benzoxazin-6-yl)chromene-2-carboxamide
CID 31020420
N-(3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 51153474
3-hydroxy-N-(3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 145472125
3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153429
3-oxo-N-phenyl-4H-1,4-benzoxazine-6-carboxamide
CID 17429970
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-5-sulfamoylthiophene-3-carboxamide
CID 55462745
N-[2-(1,3-benzodioxol-5-ylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 2649687
2-(aminomethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 66376900
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 51207749
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-pyrazole-5-carboxamide
CID 47177463
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazole-4-carboxamide
CID 55133554
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1H-indazole-3-carboxamide
CID 24671603

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide (CID 51153472) is N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide is O=C1COc2ccc(NC(=O)c3cc4ccccc4o3)cc2N1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
The InChIKey is ZLRNCQMZYFHGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O4/c20-16-9-22-14-6-5-11(8-12(14)19-16)18-17(21)15-7-10-3-1-2-4-13(10)23-15/h1-8H,9H2,(H,18,21)(H,19,20).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide has a molecular weight of 308.29 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51153472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).