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

C17H19N3O — CID 640332

IUPAC(3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESc1ccc2c(C3=NC[C@]4(CN5CCC4CC5)O3)c[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-2-4-15-13(3-1)14(9-18-15)16-19-10-17(21-16)11-20-7-5-12(17)6-8-20/h1-4,9,12,18H,5-8,10-11H2/t17-/m1/s1
InChIKeyGATDHNUZNNGZMW-QGZVFWFLSA-N
MW281.36 g/mol
LogP2.41
Rot. Bonds1

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

(3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (PubChem CID 640332) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].

Molecular Properties

Compound Name(3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
PubChem CID640332
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]
SMILESc1ccc2c(C3=NC[C@]4(CN5CCC4CC5)O3)c[nH]c2c1
InChIInChI=1S/C17H19N3O/c1-2-4-15-13(3-1)14(9-18-15)16-19-10-17(21-16)11-20-7-5-12(17)6-8-20/h1-4,9,12,18H,5-8,10-11H2/t17-/m1/s1
InChIKeyGATDHNUZNNGZMW-QGZVFWFLSA-N
XLogP2.41
TPSA40.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4R)-4-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097329
3-bromo-1-(1H-indol-3-yl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-amine
CID 84609160
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
8-[2-(1H-indol-3-yl)ethyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 13016630
3-[(2R)-2-methyl-3,4-dihydro-2H-pyrrol-5-yl]-1H-indole
CID 137097331
4-(1H-indol-3-yl)-1,3-oxazole
CID 45276627
1-[2,7-bis(1H-indol-3-yl)carbazol-9-yl]ethanone
CID 174779450
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
3-[4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenyl]-1H-indole
CID 11255616
4-(1H-indol-3-yl)-3-methyl-1,2-oxazole-5-carboxylic acid
CID 82373555
methane;3-phenyl-1H-indole
CID 167711687
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780

Frequently Asked Questions

What is the IUPAC name of (3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The IUPAC name of (3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] (CID 640332) is (3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole].
What is the SMILES notation for (3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The canonical SMILES for (3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is c1ccc2c(C3=NC[C@]4(CN5CCC4CC5)O3)c[nH]c2c1.
What is the InChIKey of (3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
The InChIKey is GATDHNUZNNGZMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-4-15-13(3-1)14(9-18-15)16-19-10-17(21-16)11-20-7-5-12(17)6-8-20/h1-4,9,12,18H,5-8,10-11H2/t17-/m1/s1.
What are the key properties of (3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole]?
(3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] has a molecular weight of 281.36 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2'-(1H-indol-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-1,3-oxazole] is sourced from PubChem (CID 640332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).