10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine

C20H19NO3 — CID 59572830

IUPAC10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCOc1ccccc1N1c2ccc(C)cc2COc2cc(C)oc21
InChIInChI=1S/C20H19NO3/c1-13-8-9-16-15(10-13)12-23-19-11-14(2)24-20(19)21(16)17-6-4-5-7-18(17)22-3/h4-11H,12H2,1-3H3
InChIKeyNJNQVPVVPMYCAZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.27
Rot. Bonds2

About 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine

10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine (PubChem CID 59572830) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine.

Molecular Properties

Compound Name10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
PubChem CID59572830
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine
SMILESCOc1ccccc1N1c2ccc(C)cc2COc2cc(C)oc21
InChIInChI=1S/C20H19NO3/c1-13-8-9-16-15(10-13)12-23-19-11-14(2)24-20(19)21(16)17-6-4-5-7-18(17)22-3/h4-11H,12H2,1-3H3
InChIKeyNJNQVPVVPMYCAZ-UHFFFAOYSA-N
XLogP5.27
TPSA34.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-(3,4-dihydro-2H-chromen-8-yl)-2,7-dimethyl-4,5-dihydrofuro[2,3-b][1]benzazepine
CID 59572281
10-(2-Methoxyphenyl)-2,7-dimethylfuro[2,3-b][1]benzazepine
CID 59572308
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
6-(2-Methoxyphenyl)-2-methyl-[1]benzofuro[3,2-b][1,4]benzoxazine
CID 59572372
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

Frequently Asked Questions

What is the IUPAC name of 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine?
The IUPAC name of 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine (CID 59572830) is 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine.
What is the SMILES notation for 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine?
The canonical SMILES for 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine is COc1ccccc1N1c2ccc(C)cc2COc2cc(C)oc21.
What is the InChIKey of 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine?
The InChIKey is NJNQVPVVPMYCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13-8-9-16-15(10-13)12-23-19-11-14(2)24-20(19)21(16)17-6-4-5-7-18(17)22-3/h4-11H,12H2,1-3H3.
What are the key properties of 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine?
10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine has a molecular weight of 321.38 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-methoxyphenyl)-2,7-dimethyl-5H-furo[2,3-b][4,1]benzoxazepine is sourced from PubChem (CID 59572830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).