1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea

C17H17N3O3 — CID 110774643

IUPAC1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
SMILESCN1C(=O)CCOc2ccc(NC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C17H17N3O3/c1-20-14-11-13(7-8-15(14)23-10-9-16(20)21)19-17(22)18-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,18,19,22)
InChIKeyBQGHADCBPMKWQE-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.08
Rot. Bonds2

About 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea

1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea (PubChem CID 110774643) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
PubChem CID110774643
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea
SMILESCN1C(=O)CCOc2ccc(NC(=O)Nc3ccccc3)cc21
InChIInChI=1S/C17H17N3O3/c1-20-14-11-13(7-8-15(14)23-10-9-16(20)21)19-17(22)18-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,18,19,22)
InChIKeyBQGHADCBPMKWQE-UHFFFAOYSA-N
XLogP3.08
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea 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

N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylpropanamide
CID 110778369
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclopentanecarboxamide
CID 110778347
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)cyclohexanecarboxamide
CID 110778343
1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-phenylurea
CID 30376036
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778376
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-5-oxopyrrolidine-2-carboxamide
CID 110793064
N-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 110793066
N-(3-methoxyphenyl)-2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)acetamide
CID 110770888
3-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)propanoic acid
CID 82232417
7-(2-methoxyethylamino)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 82499150
1-(1,3-benzodioxol-5-yl)-3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)urea
CID 30376109
2-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-N-pentylacetamide
CID 110770862

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea?
The IUPAC name of 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea (CID 110774643) is 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea.
What is the SMILES notation for 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea?
The canonical SMILES for 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea is CN1C(=O)CCOc2ccc(NC(=O)Nc3ccccc3)cc21.
What is the InChIKey of 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea?
The InChIKey is BQGHADCBPMKWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-20-14-11-13(7-8-15(14)23-10-9-16(20)21)19-17(22)18-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H2,18,19,22).
What are the key properties of 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea?
1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea has a molecular weight of 311.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-7-yl)-3-phenylurea is sourced from PubChem (CID 110774643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).