bis(1,4-benzoxazepin-2-yl)methanone

C19H12N2O3 — CID 174424374

IUPACbis(1,4-benzoxazepin-2-yl)methanone
SMILESO=C(C1=CN=Cc2ccccc2O1)C1=CN=Cc2ccccc2O1
InChIInChI=1S/C19H12N2O3/c22-19(17-11-20-9-13-5-1-3-7-15(13)23-17)18-12-21-10-14-6-2-4-8-16(14)24-18/h1-12H
InChIKeyOSHZIBOEVUTDLC-UHFFFAOYSA-N
MW316.32 g/mol
LogP3.26
Rot. Bonds2

About bis(1,4-benzoxazepin-2-yl)methanone

bis(1,4-benzoxazepin-2-yl)methanone (PubChem CID 174424374) has the molecular formula C19H12N2O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is bis(1,4-benzoxazepin-2-yl)methanone.

Molecular Properties

Compound Namebis(1,4-benzoxazepin-2-yl)methanone
PubChem CID174424374
Molecular FormulaC19H12N2O3
Molecular Weight316.32 g/mol
Exact Mass316.08
IUPAC Namebis(1,4-benzoxazepin-2-yl)methanone
SMILESO=C(C1=CN=Cc2ccccc2O1)C1=CN=Cc2ccccc2O1
InChIInChI=1S/C19H12N2O3/c22-19(17-11-20-9-13-5-1-3-7-15(13)23-17)18-12-21-10-14-6-2-4-8-16(14)24-18/h1-12H
InChIKeyOSHZIBOEVUTDLC-UHFFFAOYSA-N
XLogP3.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis(1,4-benzoxazepin-2-yl)methanone?
The IUPAC name of bis(1,4-benzoxazepin-2-yl)methanone (CID 174424374) is bis(1,4-benzoxazepin-2-yl)methanone.
What is the SMILES notation for bis(1,4-benzoxazepin-2-yl)methanone?
The canonical SMILES for bis(1,4-benzoxazepin-2-yl)methanone is O=C(C1=CN=Cc2ccccc2O1)C1=CN=Cc2ccccc2O1.
What is the InChIKey of bis(1,4-benzoxazepin-2-yl)methanone?
The InChIKey is OSHZIBOEVUTDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12N2O3/c22-19(17-11-20-9-13-5-1-3-7-15(13)23-17)18-12-21-10-14-6-2-4-8-16(14)24-18/h1-12H.
What are the key properties of bis(1,4-benzoxazepin-2-yl)methanone?
bis(1,4-benzoxazepin-2-yl)methanone has a molecular weight of 316.32 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-benzoxazepin-2-yl)methanone is sourced from PubChem (CID 174424374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).