3-(1,4-dimethylindol-2-yl)-1,4-oxazepane

C15H20N2O — CID 82664754

IUPAC3-(1,4-dimethylindol-2-yl)-1,4-oxazepane
SMILESCc1cccc2c1cc(C1COCCCN1)n2C
InChIInChI=1S/C15H20N2O/c1-11-5-3-6-14-12(11)9-15(17(14)2)13-10-18-8-4-7-16-13/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3
InChIKeyWCLDGSFZAUZPPN-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.54
Rot. Bonds1

About 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane

3-(1,4-dimethylindol-2-yl)-1,4-oxazepane (PubChem CID 82664754) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name3-(1,4-dimethylindol-2-yl)-1,4-oxazepane
PubChem CID82664754
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-(1,4-dimethylindol-2-yl)-1,4-oxazepane
SMILESCc1cccc2c1cc(C1COCCCN1)n2C
InChIInChI=1S/C15H20N2O/c1-11-5-3-6-14-12(11)9-15(17(14)2)13-10-18-8-4-7-16-13/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3
InChIKeyWCLDGSFZAUZPPN-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

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane?
The IUPAC name of 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane (CID 82664754) is 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane.
What is the SMILES notation for 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane?
The canonical SMILES for 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane is Cc1cccc2c1cc(C1COCCCN1)n2C.
What is the InChIKey of 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane?
The InChIKey is WCLDGSFZAUZPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-5-3-6-14-12(11)9-15(17(14)2)13-10-18-8-4-7-16-13/h3,5-6,9,13,16H,4,7-8,10H2,1-2H3.
What are the key properties of 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane?
3-(1,4-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 3-(1,4-dimethylindol-2-yl)-1,4-oxazepane is sourced from PubChem (CID 82664754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).