7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane

C14H17NO2S — CID 82666659

IUPAC7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane
SMILESCOc1ccc2sc(C3CCNCCO3)cc2c1
InChIInChI=1S/C14H17NO2S/c1-16-11-2-3-13-10(8-11)9-14(18-13)12-4-5-15-6-7-17-12/h2-3,8-9,12,15H,4-7H2,1H3
InChIKeyBWRFCBUCMYCKQX-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.96
Rot. Bonds2

About 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane

7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane (PubChem CID 82666659) has the molecular formula C14H17NO2S and a molecular weight of 263.36 g/mol. Its IUPAC name is 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane
PubChem CID82666659
Molecular FormulaC14H17NO2S
Molecular Weight263.36 g/mol
Exact Mass263.10
IUPAC Name7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane
SMILESCOc1ccc2sc(C3CCNCCO3)cc2c1
InChIInChI=1S/C14H17NO2S/c1-16-11-2-3-13-10(8-11)9-14(18-13)12-4-5-15-6-7-17-12/h2-3,8-9,12,15H,4-7H2,1H3
InChIKeyBWRFCBUCMYCKQX-UHFFFAOYSA-N
XLogP2.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(5-methoxy-1-benzothiophen-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

Related Compounds

3-(5-methoxy-1-benzothiophen-2-yl)piperazin-2-one
CID 82666423
1-(5-methoxy-1-benzothiophen-2-yl)piperazine
CID 82623074
2,5-dimethoxy-1-benzothiophene
CID 69101358
7-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
CID 82622922
2-(3,5-dimethoxyphenyl)morpholine
CID 53414236
5-methoxy-2-piperidin-4-yloxy-1,3-benzothiazole;hydrochloride
CID 71779004
4-(1-benzothiophen-2-yl)piperidine
CID 22028239
2-bromo-5-methoxy-1-benzothiophene
CID 74891301
(5-methoxy-1-benzothiophen-2-yl)methanamine
CID 82605307
2-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]morpholine
CID 79512215
2-[2-(difluoromethyl)-5-methoxyphenyl]morpholine
CID 117359395
4-(5-methoxy-1-benzofuran-2-yl)piperidine;hydrochloride
CID 23312240

Frequently Asked Questions

What is the IUPAC name of 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane?
The IUPAC name of 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane (CID 82666659) is 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane.
What is the SMILES notation for 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane?
The canonical SMILES for 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane is COc1ccc2sc(C3CCNCCO3)cc2c1.
What is the InChIKey of 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane?
The InChIKey is BWRFCBUCMYCKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S/c1-16-11-2-3-13-10(8-11)9-14(18-13)12-4-5-15-6-7-17-12/h2-3,8-9,12,15H,4-7H2,1H3.
What are the key properties of 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane?
7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane has a molecular weight of 263.36 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methoxy-1-benzothiophen-2-yl)-1,4-oxazepane is sourced from PubChem (CID 82666659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).