2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]

C19H23N3O — CID 15176174

IUPAC2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESCc1cccc2c(C3=NCC4(CN5CCC4CC5)O3)cn(C)c12
InChIInChI=1S/C19H23N3O/c1-13-4-3-5-15-16(10-21(2)17(13)15)18-20-11-19(23-18)12-22-8-6-14(19)7-9-22/h3-5,10,14H,6-9,11-12H2,1-2H3
InChIKeyRRKUMVTXGWOHMC-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.73
Rot. Bonds1

About 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]

2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (PubChem CID 15176174) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
PubChem CID15176174
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESCc1cccc2c(C3=NCC4(CN5CCC4CC5)O3)cn(C)c12
InChIInChI=1S/C19H23N3O/c1-13-4-3-5-15-16(10-21(2)17(13)15)18-20-11-19(23-18)12-22-8-6-14(19)7-9-22/h3-5,10,14H,6-9,11-12H2,1-2H3
InChIKeyRRKUMVTXGWOHMC-UHFFFAOYSA-N
XLogP2.73
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The IUPAC name of 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (CID 15176174) is 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].
What is the SMILES notation for 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The canonical SMILES for 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is Cc1cccc2c(C3=NCC4(CN5CCC4CC5)O3)cn(C)c12.
What is the InChIKey of 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The InChIKey is RRKUMVTXGWOHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-13-4-3-5-15-16(10-21(2)17(13)15)18-20-11-19(23-18)12-22-8-6-14(19)7-9-22/h3-5,10,14H,6-9,11-12H2,1-2H3.
What are the key properties of 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] has a molecular weight of 309.41 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(1,7-dimethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is sourced from PubChem (CID 15176174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).