1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone

C15H17NO3 — CID 62973085

IUPAC1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
SMILESO=C(CN1CCCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO3/c17-13(11-16-6-3-8-18-9-7-16)15-10-12-4-1-2-5-14(12)19-15/h1-2,4-5,10H,3,6-9,11H2
InChIKeyACGLSNHGAHSJIT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.34
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone

1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone (PubChem CID 62973085) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
PubChem CID62973085
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone
SMILESO=C(CN1CCCOCC1)c1cc2ccccc2o1
InChIInChI=1S/C15H17NO3/c17-13(11-16-6-3-8-18-9-7-16)15-10-12-4-1-2-5-14(12)19-15/h1-2,4-5,10H,3,6-9,11H2
InChIKeyACGLSNHGAHSJIT-UHFFFAOYSA-N
XLogP2.34
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzofuran-2-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
CID 14509721
1-(1-benzofuran-2-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 14509719
1-(1-benzofuran-2-yl)-2-(2-methyl-1,4-oxazepan-4-yl)ethanone
CID 62974685
1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
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1-(1-benzofuran-2-yl)-2-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62024611
1-(1-benzofuran-2-yl)-2-(4-cyclopropylpiperazin-1-yl)ethanone
CID 61445139
1-(1-benzofuran-2-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 43797305
1-benzofuran-2-yl-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 49096129
3-amino-1-(1-benzofuran-2-yl)propan-1-one
CID 82275110
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azepan-2-one
CID 62025543
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]azocan-2-one
CID 62018083
1-[2-(1-benzofuran-2-yl)-2-oxoethyl]pyridin-2-one
CID 60774223

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone (CID 62973085) is 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone is O=C(CN1CCCOCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone?
The InChIKey is ACGLSNHGAHSJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-13(11-16-6-3-8-18-9-7-16)15-10-12-4-1-2-5-14(12)19-15/h1-2,4-5,10H,3,6-9,11H2.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone?
1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone has a molecular weight of 259.31 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(1,4-oxazepan-4-yl)ethanone is sourced from PubChem (CID 62973085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).