7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one

C20H19NO3 — CID 71447614

IUPAC7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one
SMILESCC(C)N1C(=O)COCc2cc(-c3cc4ccccc4o3)ccc21
InChIInChI=1S/C20H19NO3/c1-13(2)21-17-8-7-15(9-16(17)11-23-12-20(21)22)19-10-14-5-3-4-6-18(14)24-19/h3-10,13H,11-12H2,1-2H3
InChIKeyBKBJIAJUSLYAAP-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.37
Rot. Bonds2

About 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one

7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one (PubChem CID 71447614) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one.

Molecular Properties

Compound Name7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one
PubChem CID71447614
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Name7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one
SMILESCC(C)N1C(=O)COCc2cc(-c3cc4ccccc4o3)ccc21
InChIInChI=1S/C20H19NO3/c1-13(2)21-17-8-7-15(9-16(17)11-23-12-20(21)22)19-10-14-5-3-4-6-18(14)24-19/h3-10,13H,11-12H2,1-2H3
InChIKeyBKBJIAJUSLYAAP-UHFFFAOYSA-N
XLogP4.37
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-(3,4-dimethylphenyl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one
CID 71448775
2,9-bis(1-benzofuran-2-yl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138622625
8-(3-chloro-4-fluorophenyl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one
CID 71447828
2-(3-methyl-4-propan-2-yloxyphenyl)-1-benzofuran
CID 145481148
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
5-(1-benzofuran-2-yl)-2-methylbenzenethiol
CID 71213605
2-(4-nitrophenyl)-1-benzofuran
CID 638459
5-(1-benzofuran-2-yl)-1-[(3,5-dimethylphenyl)methyl]pyridin-2-one
CID 5001076
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
7-(3-chloro-4-fluorophenyl)-1-methyl-5H-4,1-benzoxazepin-2-one
CID 71728840
(1S,5R)-3-[4-(1-benzofuran-2-yl)phenyl]sulfanyl-8-methyl-8-azabicyclo[3.2.1]octane
CID 10193601
8-(1-benzofuran-2-ylmethyl)-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26143522

Frequently Asked Questions

What is the IUPAC name of 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one?
The IUPAC name of 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one (CID 71447614) is 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one.
What is the SMILES notation for 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one?
The canonical SMILES for 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one is CC(C)N1C(=O)COCc2cc(-c3cc4ccccc4o3)ccc21.
What is the InChIKey of 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one?
The InChIKey is BKBJIAJUSLYAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-13(2)21-17-8-7-15(9-16(17)11-23-12-20(21)22)19-10-14-5-3-4-6-18(14)24-19/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one?
7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one has a molecular weight of 321.38 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzofuran-2-yl)-1-propan-2-yl-5H-4,1-benzoxazepin-2-one is sourced from PubChem (CID 71447614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).