4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide

C22H20N2O4 — CID 91894716

IUPAC4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2
InChIInChI=1S/C22H20N2O4/c25-21-15-28-20-9-8-17(22(26)23-12-19-7-4-10-27-19)11-18(20)14-24(21)13-16-5-2-1-3-6-16/h1-11H,12-15H2,(H,23,26)
InChIKeyPZBYHAZAPFHLCJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.13
Rot. Bonds5

About 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide

4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide (PubChem CID 91894716) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
PubChem CID91894716
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
SMILESO=C(NCc1ccco1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2
InChIInChI=1S/C22H20N2O4/c25-21-15-28-20-9-8-17(22(26)23-12-19-7-4-10-27-19)11-18(20)14-24(21)13-16-5-2-1-3-6-16/h1-11H,12-15H2,(H,23,26)
InChIKeyPZBYHAZAPFHLCJ-UHFFFAOYSA-N
XLogP3.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-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-benzyl-N-(4-ethylphenyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide
CID 91894734
N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-4-chlorobenzamide
CID 42801687
7-chloro-4-(furan-2-ylmethyl)-5H-1,4-benzoxazepin-3-one
CID 53152570
4-benzyl-5H-1,4-benzoxazepin-3-one
CID 22665722
4-benzyl-N-(furan-2-ylmethyl)-1,1-dioxo-2,3-dihydro-1λ6,4-benzothiazine-6-carboxamide
CID 142502197
5-benzyl-N-(furan-2-ylmethyl)-4-oxopyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 23770832
N-(furan-2-ylmethyl)-3-[[6-(2-methylbutan-2-yl)-3-oxo-1,4-benzoxazin-4-yl]methyl]benzamide
CID 4615432
4-[(5,8-dioxo-1,3,6,8a-tetrahydro-[1,3]thiazolo[3,4-a]pyrazin-7-yl)methyl]-N-(furan-2-ylmethyl)benzamide
CID 46277155
N-(4-benzyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2-(4-fluorophenyl)acetamide
CID 42801683
3-[[[4-[(1,3-dioxoisoindol-2-yl)methyl]benzoyl]amino]methyl]-N-(furan-2-ylmethyl)benzamide
CID 55877403
4-(2-methoxyethyl)-3-oxo-N-phenyl-5H-1,4-benzoxazepine-7-carboxamide
CID 91894681
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide?
The IUPAC name of 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide (CID 91894716) is 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide.
What is the SMILES notation for 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide?
The canonical SMILES for 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide is O=C(NCc1ccco1)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)CO2.
What is the InChIKey of 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide?
The InChIKey is PZBYHAZAPFHLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c25-21-15-28-20-9-8-17(22(26)23-12-19-7-4-10-27-19)11-18(20)14-24(21)13-16-5-2-1-3-6-16/h1-11H,12-15H2,(H,23,26).
What are the key properties of 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide?
4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide has a molecular weight of 376.41 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(furan-2-ylmethyl)-3-oxo-5H-1,4-benzoxazepine-7-carboxamide is sourced from PubChem (CID 91894716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).