10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one

C20H17NO4 — CID 59572382

IUPAC10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one
SMILESCOc1ccccc1N1c2ccc(C)cc2C(=O)Oc2cc(C)oc21
InChIInChI=1S/C20H17NO4/c1-12-8-9-15-14(10-12)20(22)25-18-11-13(2)24-19(18)21(15)16-6-4-5-7-17(16)23-3/h4-11H,1-3H3
InChIKeyRJLLAHKWVBUNER-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.91
Rot. Bonds2

About 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one

10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one (PubChem CID 59572382) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one.

Molecular Properties

Compound Name10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one
PubChem CID59572382
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one
SMILESCOc1ccccc1N1c2ccc(C)cc2C(=O)Oc2cc(C)oc21
InChIInChI=1S/C20H17NO4/c1-12-8-9-15-14(10-12)20(22)25-18-11-13(2)24-19(18)21(15)16-6-4-5-7-17(16)23-3/h4-11H,1-3H3
InChIKeyRJLLAHKWVBUNER-UHFFFAOYSA-N
XLogP4.91
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2-methyl-10-(2-phenylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572376
10-(4-Methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one
CID 59572406
10-(2-Methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
CID 59572448
10-(2-Methoxyphenyl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine
CID 59572452
9-methyl-5-(2-methylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59572469
10-(4-Tert-butyl-2,6-dimethylphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one
CID 59572489
6-(2,4-Dimethylphenyl)-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572495
5-(2,4-dimethylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59572510

Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one?
The IUPAC name of 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one (CID 59572382) is 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one.
What is the SMILES notation for 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one?
The canonical SMILES for 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one is COc1ccccc1N1c2ccc(C)cc2C(=O)Oc2cc(C)oc21.
What is the InChIKey of 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one?
The InChIKey is RJLLAHKWVBUNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-12-8-9-15-14(10-12)20(22)25-18-11-13(2)24-19(18)21(15)16-6-4-5-7-17(16)23-3/h4-11H,1-3H3.
What are the key properties of 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one?
10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one has a molecular weight of 335.36 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one is sourced from PubChem (CID 59572382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).