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

C19H15NO4 — CID 59572448

IUPAC10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
SMILESCOc1cc(C)ccc1N1c2ccccc2C(=O)Oc2ccoc21
InChIInChI=1S/C19H15NO4/c1-12-7-8-15(17(11-12)22-2)20-14-6-4-3-5-13(14)19(21)24-16-9-10-23-18(16)20/h3-11H,1-2H3
InChIKeyDHCAGOIYOWCXBP-UHFFFAOYSA-N
MW321.33 g/mol
LogP4.60
Rot. Bonds2

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

10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one (PubChem CID 59572448) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one.

Molecular Properties

Compound Name10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
PubChem CID59572448
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
SMILESCOc1cc(C)ccc1N1c2ccccc2C(=O)Oc2ccoc21
InChIInChI=1S/C19H15NO4/c1-12-7-8-15(17(11-12)22-2)20-14-6-4-3-5-13(14)19(21)24-16-9-10-23-18(16)20/h3-11H,1-2H3
InChIKeyDHCAGOIYOWCXBP-UHFFFAOYSA-N
XLogP4.60
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
The IUPAC name of 10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one (CID 59572448) is 10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one.
What is the SMILES notation for 10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
The canonical SMILES for 10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one is COc1cc(C)ccc1N1c2ccccc2C(=O)Oc2ccoc21.
What is the InChIKey of 10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
The InChIKey is DHCAGOIYOWCXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c1-12-7-8-15(17(11-12)22-2)20-14-6-4-3-5-13(14)19(21)24-16-9-10-23-18(16)20/h3-11H,1-2H3.
What are the key properties of 10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one?
10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one has a molecular weight of 321.33 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one is sourced from PubChem (CID 59572448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).