1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol

C18H21N3O2 — CID 15176149

IUPAC1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol
SMILESCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2cc(O)ccc21
InChIInChI=1S/C18H21N3O2/c1-20-9-15(14-8-13(22)2-3-16(14)20)17-19-10-18(23-17)11-21-6-4-12(18)5-7-21/h2-3,8-9,12,22H,4-7,10-11H2,1H3
InChIKeyAMBLMDDGYKDABV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.13
Rot. Bonds1

About 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol

1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol (PubChem CID 15176149) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol.

Molecular Properties

Compound Name1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol
PubChem CID15176149
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol
SMILESCn1cc(C2=NCC3(CN4CCC3CC4)O2)c2cc(O)ccc21
InChIInChI=1S/C18H21N3O2/c1-20-9-15(14-8-13(22)2-3-16(14)20)17-19-10-18(23-17)11-21-6-4-12(18)5-7-21/h2-3,8-9,12,22H,4-7,10-11H2,1H3
InChIKeyAMBLMDDGYKDABV-UHFFFAOYSA-N
XLogP2.13
TPSA49.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol?
The IUPAC name of 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol (CID 15176149) is 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol.
What is the SMILES notation for 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol?
The canonical SMILES for 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol is Cn1cc(C2=NCC3(CN4CCC3CC4)O2)c2cc(O)ccc21.
What is the InChIKey of 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol?
The InChIKey is AMBLMDDGYKDABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20-9-15(14-8-13(22)2-3-16(14)20)17-19-10-18(23-17)11-21-6-4-12(18)5-7-21/h2-3,8-9,12,22H,4-7,10-11H2,1H3.
What are the key properties of 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol?
1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol has a molecular weight of 311.38 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]-2'-ylindol-5-ol is sourced from PubChem (CID 15176149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).