7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane

C14H18N2O2 — CID 82622821

IUPAC7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane
SMILESCOc1c(C2CCNCCO2)ccc2[nH]ccc12
InChIInChI=1S/C14H18N2O2/c1-17-14-10-4-7-16-12(10)3-2-11(14)13-5-6-15-8-9-18-13/h2-4,7,13,15-16H,5-6,8-9H2,1H3
InChIKeyPJUDGNDSBUENAI-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.23
Rot. Bonds2

About 7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane

7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane (PubChem CID 82622821) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane.

Molecular Properties

Compound Name7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane
PubChem CID82622821
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane
SMILESCOc1c(C2CCNCCO2)ccc2[nH]ccc12
InChIInChI=1S/C14H18N2O2/c1-17-14-10-4-7-16-12(10)3-2-11(14)13-5-6-15-8-9-18-13/h2-4,7,13,15-16H,5-6,8-9H2,1H3
InChIKeyPJUDGNDSBUENAI-UHFFFAOYSA-N
XLogP2.23
TPSA46.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-(4-methoxy-1H-indol-5-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-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane?
The IUPAC name of 7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane (CID 82622821) is 7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane.
What is the SMILES notation for 7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane?
The canonical SMILES for 7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane is COc1c(C2CCNCCO2)ccc2[nH]ccc12.
What is the InChIKey of 7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane?
The InChIKey is PJUDGNDSBUENAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-17-14-10-4-7-16-12(10)3-2-11(14)13-5-6-15-8-9-18-13/h2-4,7,13,15-16H,5-6,8-9H2,1H3.
What are the key properties of 7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane?
7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane has a molecular weight of 246.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxy-1H-indol-5-yl)-1,4-oxazepane is sourced from PubChem (CID 82622821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).