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

C19H23N3O — CID 14789984

IUPAC2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESCCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-2-22-11-16(15-5-3-4-6-17(15)22)18-20-12-19(23-18)13-21-9-7-14(19)8-10-21/h3-6,11,14H,2,7-10,12-13H2,1H3
InChIKeyHQSDGCAZUNCTGQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.90
Rot. Bonds2

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

2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (PubChem CID 14789984) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
PubChem CID14789984
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESCCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2ccccc21
InChIInChI=1S/C19H23N3O/c1-2-22-11-16(15-5-3-4-6-17(15)22)18-20-12-19(23-18)13-21-9-7-14(19)8-10-21/h3-6,11,14H,2,7-10,12-13H2,1H3
InChIKeyHQSDGCAZUNCTGQ-UHFFFAOYSA-N
XLogP2.90
TPSA29.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The IUPAC name of 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (CID 14789984) is 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].
What is the SMILES notation for 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The canonical SMILES for 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is CCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2ccccc21.
What is the InChIKey of 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The InChIKey is HQSDGCAZUNCTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-22-11-16(15-5-3-4-6-17(15)22)18-20-12-19(23-18)13-21-9-7-14(19)8-10-21/h3-6,11,14H,2,7-10,12-13H2,1H3.
What are the key properties of 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
2'-(1-ethylindol-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 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(1-ethylindol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is sourced from PubChem (CID 14789984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).