2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one

C19H15NO3 — CID 59573652

IUPAC2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
SMILESCc1cc2c(o1)N(c1ccccc1C)c1ccccc1C(=O)O2
InChIInChI=1S/C19H15NO3/c1-12-7-3-5-9-15(12)20-16-10-6-4-8-14(16)19(21)23-17-11-13(2)22-18(17)20/h3-11H,1-2H3
InChIKeyDDTHHXVGWKORPN-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.90
Rot. Bonds1

About 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one

2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one (PubChem CID 59573652) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one.

Molecular Properties

Compound Name2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
PubChem CID59573652
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
SMILESCc1cc2c(o1)N(c1ccccc1C)c1ccccc1C(=O)O2
InChIInChI=1S/C19H15NO3/c1-12-7-3-5-9-15(12)20-16-10-6-4-8-14(16)19(21)23-17-11-13(2)22-18(17)20/h3-11H,1-2H3
InChIKeyDDTHHXVGWKORPN-UHFFFAOYSA-N
XLogP4.90
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
The IUPAC name of 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one (CID 59573652) is 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one.
What is the SMILES notation for 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
The canonical SMILES for 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one is Cc1cc2c(o1)N(c1ccccc1C)c1ccccc1C(=O)O2.
What is the InChIKey of 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
The InChIKey is DDTHHXVGWKORPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-12-7-3-5-9-15(12)20-16-10-6-4-8-14(16)19(21)23-17-11-13(2)22-18(17)20/h3-11H,1-2H3.
What are the key properties of 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one has a molecular weight of 305.33 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-10-(2-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one is sourced from PubChem (CID 59573652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).