3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate

C19H19N3O3S — CID 118436682

IUPAC3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate
SMILESO=C(OC1CC2COCC(C1)N2)c1cn(-c2ccns2)c2ccccc12
InChIInChI=1S/C19H19N3O3S/c23-19(25-14-7-12-10-24-11-13(8-14)21-12)16-9-22(18-5-6-20-26-18)17-4-2-1-3-15(16)17/h1-6,9,12-14,21H,7-8,10-11H2
InChIKeyZZBUIWYZYJSJJO-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-5-yl)indole-3-carboxylate

3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate (PubChem CID 118436682) 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-5-yl)indole-3-carboxylate.

Molecular Properties

Compound Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate
PubChem CID118436682
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-5-yl)indole-3-carboxylate
SMILESO=C(OC1CC2COCC(C1)N2)c1cn(-c2ccns2)c2ccccc12
InChIInChI=1S/C19H19N3O3S/c23-19(25-14-7-12-10-24-11-13(8-14)21-12)16-9-22(18-5-6-20-26-18)17-4-2-1-3-15(16)17/h1-6,9,12-14,21H,7-8,10-11H2
InChIKeyZZBUIWYZYJSJJO-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

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Frequently Asked Questions

What is the IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate?
The IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate (CID 118436682) is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate.
What is the SMILES notation for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate?
The canonical SMILES for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate is O=C(OC1CC2COCC(C1)N2)c1cn(-c2ccns2)c2ccccc12.
What is the InChIKey of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate?
The InChIKey is ZZBUIWYZYJSJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-19(25-14-7-12-10-24-11-13(8-14)21-12)16-9-22(18-5-6-20-26-18)17-4-2-1-3-15(16)17/h1-6,9,12-14,21H,7-8,10-11H2.
What are the key properties of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-yl)indole-3-carboxylate?
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,2-thiazol-5-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-5-yl)indole-3-carboxylate is sourced from PubChem (CID 118436682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).