3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one

C16H13NO3 — CID 1478096

IUPAC3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one
SMILESCOc1ccc(C2=COc3ccccc3C(=O)N2)cc1
InChIInChI=1S/C16H13NO3/c1-19-12-8-6-11(7-9-12)14-10-20-15-5-3-2-4-13(15)16(18)17-14/h2-10H,1H3,(H,17,18)
InChIKeyGXNXBPRXDFRGQF-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.82
Rot. Bonds2

About 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one

3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one (PubChem CID 1478096) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one
PubChem CID1478096
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one
SMILESCOc1ccc(C2=COc3ccccc3C(=O)N2)cc1
InChIInChI=1S/C16H13NO3/c1-19-12-8-6-11(7-9-12)14-10-20-15-5-3-2-4-13(15)16(18)17-14/h2-10H,1H3,(H,17,18)
InChIKeyGXNXBPRXDFRGQF-UHFFFAOYSA-N
XLogP2.82
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one 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

3-(4-methoxyphenyl)-4-(2-methylphenyl)pyrrole-2,5-dione
CID 53254280
(3S)-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 1482114
2-(4-methoxyphenyl)-N-methylaniline
CID 12555620
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
(5Z)-5-[[2-(4-methoxyphenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19701707
4-(4-methoxyphenyl)-2H-1,2-oxazol-5-one
CID 13330270
2-[4-(4-methoxyphenyl)phenyl]isoindole-1,3-dione
CID 123891314
2-(4-methoxyphenyl)-1H-azirine
CID 19098652
2-[2-(4-methoxyphenyl)chromen-4-ylidene]indene-1,3-dione
CID 132568688
4-[4-(4-methoxyanilino)butyl]-3-phenyl-1,4-benzoxazepin-5-one
CID 155805378
9-methoxy-5,11-dihydrobenzo[b][1,4]benzodiazepin-6-one
CID 131887871
(5-methoxy-4-phenyl-1-benzoxepin-3-yl) acetate
CID 13116087

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one?
The IUPAC name of 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one (CID 1478096) is 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one?
The canonical SMILES for 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one is COc1ccc(C2=COc3ccccc3C(=O)N2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one?
The InChIKey is GXNXBPRXDFRGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-12-8-6-11(7-9-12)14-10-20-15-5-3-2-4-13(15)16(18)17-14/h2-10H,1H3,(H,17,18).
What are the key properties of 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one?
3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one has a molecular weight of 267.28 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-4H-1,4-benzoxazepin-5-one is sourced from PubChem (CID 1478096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).