10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one

C22H19NO3 — CID 59572406

IUPAC10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one
SMILESCc1ccc(N2c3ccccc3C(=O)Oc3ccoc32)c2c1CCCC2
InChIInChI=1S/C22H19NO3/c1-14-10-11-19(16-7-3-2-6-15(14)16)23-18-9-5-4-8-17(18)22(24)26-20-12-13-25-21(20)23/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyCVOBFBWUZLZEKP-UHFFFAOYSA-N
MW345.40 g/mol
LogP5.47
Rot. Bonds1

About 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one

10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one (PubChem CID 59572406) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one.

Molecular Properties

Compound Name10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one
PubChem CID59572406
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one
SMILESCc1ccc(N2c3ccccc3C(=O)Oc3ccoc32)c2c1CCCC2
InChIInChI=1S/C22H19NO3/c1-14-10-11-19(16-7-3-2-6-15(14)16)23-18-9-5-4-8-17(18)22(24)26-20-12-13-25-21(20)23/h4-5,8-13H,2-3,6-7H2,1H3
InChIKeyCVOBFBWUZLZEKP-UHFFFAOYSA-N
XLogP5.47
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one with MolForge

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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-(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
10-(2-Methoxyphenyl)-2,7-dimethylfuro[2,3-b][4,1]benzoxazepin-5-one
CID 59572382
10-(2-Methoxy-4-methylphenyl)furo[2,3-b][4,1]benzoxazepin-5-one
CID 59572448
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
5-(2,4-dimethylphenyl)-12H-[1]benzofuro[2,3-b][4,1]benzoxazepine
CID 59572510
2-methyl-10-(2,4,6-trimethylphenyl)-5H-furo[2,3-b][4,1]benzoxazepine
CID 59572525

Frequently Asked Questions

What is the IUPAC name of 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one?
The IUPAC name of 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one (CID 59572406) is 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one.
What is the SMILES notation for 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one?
The canonical SMILES for 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one is Cc1ccc(N2c3ccccc3C(=O)Oc3ccoc32)c2c1CCCC2.
What is the InChIKey of 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one?
The InChIKey is CVOBFBWUZLZEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-14-10-11-19(16-7-3-2-6-15(14)16)23-18-9-5-4-8-17(18)22(24)26-20-12-13-25-21(20)23/h4-5,8-13H,2-3,6-7H2,1H3.
What are the key properties of 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one?
10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one has a molecular weight of 345.40 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)furo[2,3-b][4,1]benzoxazepin-5-one is sourced from PubChem (CID 59572406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).