10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine

C24H19NO2 — CID 59572606

IUPAC10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1ccc(N2c3ccccc3COc3ccoc32)c(-c2ccccc2)c1
InChIInChI=1S/C24H19NO2/c1-17-11-12-22(20(15-17)18-7-3-2-4-8-18)25-21-10-6-5-9-19(21)16-27-23-13-14-26-24(23)25/h2-15H,16H2,1H3
InChIKeyOCMDOFBBULXXIK-UHFFFAOYSA-N
MW353.42 g/mol
LogP6.62
Rot. Bonds2

About 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine

10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine (PubChem CID 59572606) has the molecular formula C24H19NO2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
PubChem CID59572606
Molecular FormulaC24H19NO2
Molecular Weight353.42 g/mol
Exact Mass353.14
IUPAC Name10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCc1ccc(N2c3ccccc3COc3ccoc32)c(-c2ccccc2)c1
InChIInChI=1S/C24H19NO2/c1-17-11-12-22(20(15-17)18-7-3-2-4-8-18)25-21-10-6-5-9-19(21)16-27-23-13-14-26-24(23)25/h2-15H,16H2,1H3
InChIKeyOCMDOFBBULXXIK-UHFFFAOYSA-N
XLogP6.62
TPSA25.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.42
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-10-(5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572243
10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572260
5-(4-Tert-butyl-2,6-dimethylphenyl)-2,9-dimethyl-[1]benzofuro[2,3-b][4,1]benzoxazepin-12-one
CID 59572265
10-(4-tert-butyl-2,6-dimethylphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572326
9-(2,4,6-Trimethylphenyl)furo[3,4-b][1,4]benzoxazine
CID 59572366
9-(4-Methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[3,2-b][1,4]benzoxazine
CID 59572375
2-methyl-10-(2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572376
2,9-Dimethyl-6-(2,4,6-trimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572379
10-(2-Methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one
CID 59572382
2-Methyl-6-(2-methylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572400
10-(4-Methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one
CID 59572406
2,6-Dimethyl-9-(2-phenylphenyl)furo[3,2-b][1,4]benzoxazine
CID 59572422

Frequently Asked Questions

What is the IUPAC name of 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine?
The IUPAC name of 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine (CID 59572606) is 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine is Cc1ccc(N2c3ccccc3COc3ccoc32)c(-c2ccccc2)c1.
What is the InChIKey of 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine?
The InChIKey is OCMDOFBBULXXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2/c1-17-11-12-22(20(15-17)18-7-3-2-4-8-18)25-21-10-6-5-9-19(21)16-27-23-13-14-26-24(23)25/h2-15H,16H2,1H3.
What are the key properties of 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine?
10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine has a molecular weight of 353.42 g/mol, XLogP of 6.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methyl-2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59572606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).