[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone

C19H21N3O3 — CID 125016667

IUPAC[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c1
InChIInChI=1S/C19H21N3O3/c1-21-11-17(20-13-21)19(23)22-5-7-24-12-15(10-22)8-14-2-3-16-4-6-25-18(16)9-14/h2-4,6,9,11,13,15H,5,7-8,10,12H2,1H3/t15-/m1/s1
InChIKeyXBYMPGMCNWPRAN-OAHLLOKOSA-N
MW339.39 g/mol
LogP2.50
Rot. Bonds3

About [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone

[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone (PubChem CID 125016667) has the molecular formula C19H21N3O3 and a molecular weight of 339.39 g/mol. Its IUPAC name is [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
PubChem CID125016667
Molecular FormulaC19H21N3O3
Molecular Weight339.39 g/mol
Exact Mass339.16
IUPAC Name[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
SMILESCn1cnc(C(=O)N2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c1
InChIInChI=1S/C19H21N3O3/c1-21-11-17(20-13-21)19(23)22-5-7-24-12-15(10-22)8-14-2-3-16-4-6-25-18(16)9-14/h2-4,6,9,11,13,15H,5,7-8,10,12H2,1H3/t15-/m1/s1
InChIKeyXBYMPGMCNWPRAN-OAHLLOKOSA-N
XLogP2.50
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone with MolForge

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Related Compounds

[6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(6-methyl-2-pyridinyl)methanone
CID 110131994
[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 124984174
[6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-pyridazin-4-ylmethanone
CID 110132059
[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[3-(3,5-dimethylpyrazol-1-yl)phenyl]methanone
CID 124961912
[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 124975681
[6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 110150622
2-[6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-N,N-dimethylacetamide
CID 110131956
[6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 132767555
[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[2-(3-methoxyanilino)-3-pyridinyl]methanone
CID 129458227
[6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 110150956
[(6S)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]methanone
CID 129457470
6-(1-benzofuran-6-ylmethyl)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepane
CID 110111798

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone?
The IUPAC name of [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone (CID 125016667) is [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone.
What is the SMILES notation for [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone?
The canonical SMILES for [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone is Cn1cnc(C(=O)N2CCOC[C@H](Cc3ccc4ccoc4c3)C2)c1.
What is the InChIKey of [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone?
The InChIKey is XBYMPGMCNWPRAN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-11-17(20-13-21)19(23)22-5-7-24-12-15(10-22)8-14-2-3-16-4-6-25-18(16)9-14/h2-4,6,9,11,13,15H,5,7-8,10,12H2,1H3/t15-/m1/s1.
What are the key properties of [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone?
[(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone has a molecular weight of 339.39 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-(1-benzofuran-6-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone is sourced from PubChem (CID 125016667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).