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

C15H20N2O — CID 82664742

IUPAC5-(1,7-dimethylindol-2-yl)-1,4-oxazepane
SMILESCc1cccc2cc(C3CCOCCN3)n(C)c12
InChIInChI=1S/C15H20N2O/c1-11-4-3-5-12-10-14(17(2)15(11)12)13-6-8-18-9-7-16-13/h3-5,10,13,16H,6-9H2,1-2H3
InChIKeyIHWDEOANDILFOP-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.54
Rot. Bonds1

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

5-(1,7-dimethylindol-2-yl)-1,4-oxazepane (PubChem CID 82664742) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 5-(1,7-dimethylindol-2-yl)-1,4-oxazepane.

Molecular Properties

Compound Name5-(1,7-dimethylindol-2-yl)-1,4-oxazepane
PubChem CID82664742
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name5-(1,7-dimethylindol-2-yl)-1,4-oxazepane
SMILESCc1cccc2cc(C3CCOCCN3)n(C)c12
InChIInChI=1S/C15H20N2O/c1-11-4-3-5-12-10-14(17(2)15(11)12)13-6-8-18-9-7-16-13/h3-5,10,13,16H,6-9H2,1-2H3
InChIKeyIHWDEOANDILFOP-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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Related Compounds

3-(1,4-dimethylindol-2-yl)-1,4-oxazepane
CID 82664754
(5S)-5-phenyl-1,4-oxazepane
CID 86332618
3-(2,6-dimethylphenyl)morpholine
CID 55298000
3-(1,7-dimethylindol-5-yl)morpholine
CID 84793733
5-methoxy-1,7-dimethyl-2-pyrrolidin-2-ylindole
CID 84631519
1,8-dimethyl-3-pyrrolidin-3-ylquinolin-2-one
CID 84630283
4-[2-(2,7-dimethylindol-1-yl)ethyl]morpholine
CID 19366801
7-methoxy-1,5-dimethyl-2-pyrrolidin-2-ylindole
CID 84631498
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
7-methoxy-1,4-dimethyl-2-pyrrolidin-2-ylindole
CID 84631565
1,4-dimethyl-2-(4-methylpiperazin-2-yl)indole
CID 82664535
7-methyl-1-(oxan-4-yl)benzimidazol-2-amine
CID 113333969

Frequently Asked Questions

What is the IUPAC name of 5-(1,7-dimethylindol-2-yl)-1,4-oxazepane?
The IUPAC name of 5-(1,7-dimethylindol-2-yl)-1,4-oxazepane (CID 82664742) is 5-(1,7-dimethylindol-2-yl)-1,4-oxazepane.
What is the SMILES notation for 5-(1,7-dimethylindol-2-yl)-1,4-oxazepane?
The canonical SMILES for 5-(1,7-dimethylindol-2-yl)-1,4-oxazepane is Cc1cccc2cc(C3CCOCCN3)n(C)c12.
What is the InChIKey of 5-(1,7-dimethylindol-2-yl)-1,4-oxazepane?
The InChIKey is IHWDEOANDILFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-4-3-5-12-10-14(17(2)15(11)12)13-6-8-18-9-7-16-13/h3-5,10,13,16H,6-9H2,1-2H3.
What are the key properties of 5-(1,7-dimethylindol-2-yl)-1,4-oxazepane?
5-(1,7-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 5-(1,7-dimethylindol-2-yl)-1,4-oxazepane is sourced from PubChem (CID 82664742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).