7-(1,5-dimethylindol-2-yl)-1,4-oxazepane

C15H20N2O — CID 82664734

IUPAC7-(1,5-dimethylindol-2-yl)-1,4-oxazepane
SMILESCc1ccc2c(c1)cc(C1CCNCCO1)n2C
InChIInChI=1S/C15H20N2O/c1-11-3-4-13-12(9-11)10-14(17(13)2)15-5-6-16-7-8-18-15/h3-4,9-10,15-16H,5-8H2,1-2H3
InChIKeyDDAISWPPBOLETL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.54
Rot. Bonds1

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

7-(1,5-dimethylindol-2-yl)-1,4-oxazepane (PubChem CID 82664734) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 7-(1,5-dimethylindol-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name7-(1,5-dimethylindol-2-yl)-1,4-oxazepane
PubChem CID82664734
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name7-(1,5-dimethylindol-2-yl)-1,4-oxazepane
SMILESCc1ccc2c(c1)cc(C1CCNCCO1)n2C
InChIInChI=1S/C15H20N2O/c1-11-3-4-13-12(9-11)10-14(17(13)2)15-5-6-16-7-8-18-15/h3-4,9-10,15-16H,5-8H2,1-2H3
InChIKeyDDAISWPPBOLETL-UHFFFAOYSA-N
XLogP2.54
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(1,5-dimethylindol-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-(1,5-dimethylindol-2-yl)-1,4-oxazepane?
The IUPAC name of 7-(1,5-dimethylindol-2-yl)-1,4-oxazepane (CID 82664734) is 7-(1,5-dimethylindol-2-yl)-1,4-oxazepane.
What is the SMILES notation for 7-(1,5-dimethylindol-2-yl)-1,4-oxazepane?
The canonical SMILES for 7-(1,5-dimethylindol-2-yl)-1,4-oxazepane is Cc1ccc2c(c1)cc(C1CCNCCO1)n2C.
What is the InChIKey of 7-(1,5-dimethylindol-2-yl)-1,4-oxazepane?
The InChIKey is DDAISWPPBOLETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-3-4-13-12(9-11)10-14(17(13)2)15-5-6-16-7-8-18-15/h3-4,9-10,15-16H,5-8H2,1-2H3.
What are the key properties of 7-(1,5-dimethylindol-2-yl)-1,4-oxazepane?
7-(1,5-dimethylindol-2-yl)-1,4-oxazepane has a molecular weight of 244.34 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,5-dimethylindol-2-yl)-1,4-oxazepane is sourced from PubChem (CID 82664734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).