6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one

C16H11NO3 — CID 11514498

IUPAC6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3ccc4occc4c3)cc2N1
InChIInChI=1S/C16H11NO3/c18-16-9-20-15-4-2-11(8-13(15)17-16)10-1-3-14-12(7-10)5-6-19-14/h1-8H,9H2,(H,17,18)
InChIKeyXNNZVTAXECVFAA-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.43
Rot. Bonds1

About 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one

6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one (PubChem CID 11514498) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one
PubChem CID11514498
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one
SMILESO=C1COc2ccc(-c3ccc4occc4c3)cc2N1
InChIInChI=1S/C16H11NO3/c18-16-9-20-15-4-2-11(8-13(15)17-16)10-1-3-14-12(7-10)5-6-19-14/h1-8H,9H2,(H,17,18)
InChIKeyXNNZVTAXECVFAA-UHFFFAOYSA-N
XLogP3.43
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-phosphanyl-4H-1,4-benzoxazin-3-one
CID 142138259
6-[2-(methylamino)-1,3-oxazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116832523
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077
6-[amino(bromo)methyl]-4H-1,4-benzoxazin-3-one
CID 116947633
6-(2-amino-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 2061961
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
(4-chlorophenyl)-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]azanium
CID 142893426
6-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 116867442
6-(2,5-diphenyl-1H-imidazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 56641613
6-[6-(4-chlorophenyl)-2-pyridinyl]-4H-1,4-benzoxazin-3-one
CID 86093145
[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-2-pyridinyl]-phenylazanium
CID 163690268
6-[chloro(dimethylamino)methyl]-4H-1,4-benzoxazin-3-one
CID 116915239

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one (CID 11514498) is 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(-c3ccc4occc4c3)cc2N1.
What is the InChIKey of 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one?
The InChIKey is XNNZVTAXECVFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16-9-20-15-4-2-11(8-13(15)17-16)10-1-3-14-12(7-10)5-6-19-14/h1-8H,9H2,(H,17,18).
What are the key properties of 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one?
6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one has a molecular weight of 265.27 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-5-yl)-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 11514498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).