3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate

C19H19N3O3S — CID 118436609

IUPAC3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate
SMILESO=C(OC1CC2COCC(C1)N2)c1cn(-c2cnsc2)c2ccccc12
InChIInChI=1S/C19H19N3O3S/c23-19(25-15-5-12-9-24-10-13(6-15)21-12)17-8-22(14-7-20-26-11-14)18-4-2-1-3-16(17)18/h1-4,7-8,11-13,15,21H,5-6,9-10H2
InChIKeyXWXUUNOCAYOUMK-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.76
Rot. Bonds3

About 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate

3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate (PubChem CID 118436609) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate.

Molecular Properties

Compound Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate
PubChem CID118436609
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate
SMILESO=C(OC1CC2COCC(C1)N2)c1cn(-c2cnsc2)c2ccccc12
InChIInChI=1S/C19H19N3O3S/c23-19(25-15-5-12-9-24-10-13(6-15)21-12)17-8-22(14-7-20-26-11-14)18-4-2-1-3-16(17)18/h1-4,7-8,11-13,15,21H,5-6,9-10H2
InChIKeyXWXUUNOCAYOUMK-UHFFFAOYSA-N
XLogP2.76
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate with MolForge

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Related Compounds

[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-(1-methylpyrazol-4-yl)indole-3-carboxylate
CID 89927732
[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-pyridin-3-ylindole-3-carboxylate
CID 89927783
[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-pyridin-4-ylindole-3-carboxylate
CID 89927809
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-(2-fluoroethyl)indole-3-carboxylate
CID 118436235
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-methylsulfonylindole-3-carboxylate
CID 118436486
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 5-fluoro-1-methylsulfonylindole-3-carboxylate
CID 118436607
(9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl) 1-(2,2-difluoroethyl)-5-fluoroindole-3-carboxylate
CID 118436763
N-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)-1-(1,2-thiazol-4-yl)indole-3-carboxamide
CID 126842491
CID 14403147
CID 14403147
[(1S,5R)-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-(2-cyano-4-pyridinyl)indole-3-carboxylate
CID 89927780
[(1S,5R)-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl] 1-[1-(2-fluoroethyl)pyrazol-4-yl]indole-3-carboxylate
CID 89927913
US10125145, Cpd. No. 18
CID 89927915

Frequently Asked Questions

What is the IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate?
The IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate (CID 118436609) is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate.
What is the SMILES notation for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate?
The canonical SMILES for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate is O=C(OC1CC2COCC(C1)N2)c1cn(-c2cnsc2)c2ccccc12.
What is the InChIKey of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate?
The InChIKey is XWXUUNOCAYOUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-19(25-15-5-12-9-24-10-13(6-15)21-12)17-8-22(14-7-20-26-11-14)18-4-2-1-3-16(17)18/h1-4,7-8,11-13,15,21H,5-6,9-10H2.
What are the key properties of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate?
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate has a molecular weight of 369.45 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-4-yl)indole-3-carboxylate is sourced from PubChem (CID 118436609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).