7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane

C14H17NO3 — CID 82622922

IUPAC7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
SMILESCOc1cccc2cc(C3CCNCCO3)oc12
InChIInChI=1S/C14H17NO3/c1-16-12-4-2-3-10-9-13(18-14(10)12)11-5-6-15-7-8-17-11/h2-4,9,11,15H,5-8H2,1H3
InChIKeyQFDWYYNHTVCHGN-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.49
Rot. Bonds2

About 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane

7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane (PubChem CID 82622922) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
PubChem CID82622922
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
SMILESCOc1cccc2cc(C3CCNCCO3)oc12
InChIInChI=1S/C14H17NO3/c1-16-12-4-2-3-10-9-13(18-14(10)12)11-5-6-15-7-8-17-11/h2-4,9,11,15H,5-8H2,1H3
InChIKeyQFDWYYNHTVCHGN-UHFFFAOYSA-N
XLogP2.49
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane?
The IUPAC name of 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane (CID 82622922) is 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane.
What is the SMILES notation for 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane?
The canonical SMILES for 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane is COc1cccc2cc(C3CCNCCO3)oc12.
What is the InChIKey of 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane?
The InChIKey is QFDWYYNHTVCHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-16-12-4-2-3-10-9-13(18-14(10)12)11-5-6-15-7-8-17-11/h2-4,9,11,15H,5-8H2,1H3.
What are the key properties of 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane?
7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane has a molecular weight of 247.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane is sourced from PubChem (CID 82622922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).