(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone

C15H17NO4 — CID 74231738

IUPAC(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCOCC(O)C3)ccc2o1
InChIInChI=1S/C15H17NO4/c1-10-6-12-7-11(2-3-14(12)20-10)15(18)16-4-5-19-9-13(17)8-16/h2-3,6-7,13,17H,4-5,8-9H2,1H3
InChIKeyAZMRDWFPDXKOEH-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.57
Rot. Bonds1

About (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone

(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone (PubChem CID 74231738) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone
PubChem CID74231738
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCOCC(O)C3)ccc2o1
InChIInChI=1S/C15H17NO4/c1-10-6-12-7-11(2-3-14(12)20-10)15(18)16-4-5-19-9-13(17)8-16/h2-3,6-7,13,17H,4-5,8-9H2,1H3
InChIKeyAZMRDWFPDXKOEH-UHFFFAOYSA-N
XLogP1.57
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4R)-3-hydroxy-4-morpholin-4-ylpyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110108296
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
(2-methyl-1-benzofuran-5-yl)-(2-pyrazin-2-ylmorpholin-4-yl)methanone
CID 127246298
(2-methyl-1-benzofuran-5-yl)-[3-(6-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 110089978
2-methyl-4-[4-(2-methyl-1-benzofuran-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844612
(2-methyl-1-benzofuran-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124969462
N-[4-(6-hydroxy-1,4-oxazepane-4-carbonyl)phenyl]ethanesulfonamide
CID 70728076
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
(6-hydroxy-1,4-oxazepan-4-yl)-(5-propylthiophen-3-yl)methanone
CID 70730804
6-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124942458
[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95897770
[(5S)-3-cyclopropyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 164691948

Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone?
The IUPAC name of (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone (CID 74231738) is (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone?
The canonical SMILES for (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone is Cc1cc2cc(C(=O)N3CCOCC(O)C3)ccc2o1.
What is the InChIKey of (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone?
The InChIKey is AZMRDWFPDXKOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-6-12-7-11(2-3-14(12)20-10)15(18)16-4-5-19-9-13(17)8-16/h2-3,6-7,13,17H,4-5,8-9H2,1H3.
What are the key properties of (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone?
(6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone has a molecular weight of 275.30 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1,4-oxazepan-4-yl)-(2-methyl-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 74231738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).