3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane

C14H17NO3 — CID 82622924

IUPAC3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
SMILESCOc1cccc2cc(C3COCCCN3)oc12
InChIInChI=1S/C14H17NO3/c1-16-12-5-2-4-10-8-13(18-14(10)12)11-9-17-7-3-6-15-11/h2,4-5,8,11,15H,3,6-7,9H2,1H3
InChIKeyJHFHFHACXRFJRL-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.49
Rot. Bonds2

About 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane

3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane (PubChem CID 82622924) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
PubChem CID82622924
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
SMILESCOc1cccc2cc(C3COCCCN3)oc12
InChIInChI=1S/C14H17NO3/c1-16-12-5-2-4-10-8-13(18-14(10)12)11-9-17-7-3-6-15-11/h2,4-5,8,11,15H,3,6-7,9H2,1H3
InChIKeyJHFHFHACXRFJRL-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

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Related Compounds

3-methoxy-2-[(3R)-morpholin-3-yl]phenol
CID 131502010
7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
CID 82622922
4-(7-methoxy-1-benzofuran-2-yl)pyrrolidin-2-one
CID 13400182
2-(7-methoxy-1-benzofuran-2-yl)-1-methyl-1,4-diazepane
CID 82665855
4-methoxy-2-morpholin-3-yl-1,3-benzoxazole
CID 114764868
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
(3R)-3-(4-bromo-2-methoxyphenyl)morpholine;hydrochloride
CID 171192624
2-iodo-7-methoxy-1-benzofuran
CID 147263066
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
2-(3-methoxynaphthalen-2-yl)pyrrolidine
CID 4540361
N-[1-(7-methoxy-1-benzofuran-2-yl)ethyl]cyclopentanamine
CID 43200727
(3R)-3-(2-methoxynaphthalen-1-yl)morpholine;hydrochloride
CID 171192849

Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane?
The IUPAC name of 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane (CID 82622924) is 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane.
What is the SMILES notation for 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane?
The canonical SMILES for 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane is COc1cccc2cc(C3COCCCN3)oc12.
What is the InChIKey of 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane?
The InChIKey is JHFHFHACXRFJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-16-12-5-2-4-10-8-13(18-14(10)12)11-9-17-7-3-6-15-11/h2,4-5,8,11,15H,3,6-7,9H2,1H3.
What are the key properties of 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane?
3-(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 3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane is sourced from PubChem (CID 82622924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).