N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide

C19H14N2O4 — CID 46394434

IUPACN-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide
SMILESCN1C(=O)c2ccccc2Oc2ccc(NC(=O)c3ccco3)cc21
InChIInChI=1S/C19H14N2O4/c1-21-14-11-12(20-18(22)17-7-4-10-24-17)8-9-16(14)25-15-6-3-2-5-13(15)19(21)23/h2-11H,1H3,(H,20,22)
InChIKeyQWNMWUNUQVGRGZ-UHFFFAOYSA-N
MW334.33 g/mol
LogP3.91
Rot. Bonds2

About N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide

N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide (PubChem CID 46394434) has the molecular formula C19H14N2O4 and a molecular weight of 334.33 g/mol. Its IUPAC name is N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide
PubChem CID46394434
Molecular FormulaC19H14N2O4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC NameN-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide
SMILESCN1C(=O)c2ccccc2Oc2ccc(NC(=O)c3ccco3)cc21
InChIInChI=1S/C19H14N2O4/c1-21-14-11-12(20-18(22)17-7-4-10-24-17)8-9-16(14)25-15-6-3-2-5-13(15)19(21)23/h2-11H,1H3,(H,20,22)
InChIKeyQWNMWUNUQVGRGZ-UHFFFAOYSA-N
XLogP3.91
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide 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

4-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)benzamide
CID 46394437
N-(3-methoxyphenyl)-5-methyl-6-oxobenzo[b][1,4]benzoxazepine-3-carboxamide
CID 53011985
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 20933384
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535
[2-[(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)carbamoyl]phenyl] acetate
CID 40947157
N-[4-(1,3-dioxoisoindol-2-yl)phenyl]furan-2-carboxamide
CID 923784
N-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)furan-2-carboxamide
CID 18571249
3-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)butanamide
CID 40947113
N-(2-naphthalen-1-ylbenzotriazol-5-yl)furan-2-carboxamide
CID 1362350
N-[4-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 565232
N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 689600
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)-1,2-oxazole-4-carboxamide
CID 18571314

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide?
The IUPAC name of N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide (CID 46394434) is N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide is CN1C(=O)c2ccccc2Oc2ccc(NC(=O)c3ccco3)cc21.
What is the InChIKey of N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide?
The InChIKey is QWNMWUNUQVGRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O4/c1-21-14-11-12(20-18(22)17-7-4-10-24-17)8-9-16(14)25-15-6-3-2-5-13(15)19(21)23/h2-11H,1H3,(H,20,22).
What are the key properties of N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide?
N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide has a molecular weight of 334.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6-oxobenzo[b][1,4]benzoxazepin-3-yl)furan-2-carboxamide is sourced from PubChem (CID 46394434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).