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

C19H19N3O4 — CID 118436599

IUPAC3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate
SMILESO=C(OC1CC2COCC(C1)N2)c1cn(-c2ncco2)c2ccccc12
InChIInChI=1S/C19H19N3O4/c23-18(26-14-7-12-10-24-11-13(8-14)21-12)16-9-22(19-20-5-6-25-19)17-4-2-1-3-15(16)17/h1-6,9,12-14,21H,7-8,10-11H2
InChIKeyQXKOYTICPVMOAR-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.29
Rot. Bonds3

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

3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate (PubChem CID 118436599) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate.

Molecular Properties

Compound Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate
PubChem CID118436599
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate
SMILESO=C(OC1CC2COCC(C1)N2)c1cn(-c2ncco2)c2ccccc12
InChIInChI=1S/C19H19N3O4/c23-18(26-14-7-12-10-24-11-13(8-14)21-12)16-9-22(19-20-5-6-25-19)17-4-2-1-3-15(16)17/h1-6,9,12-14,21H,7-8,10-11H2
InChIKeyQXKOYTICPVMOAR-UHFFFAOYSA-N
XLogP2.29
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.29
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-(1,3-oxazol-2-yl)indole-3-carboxylate?
The IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate (CID 118436599) is 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate.
What is the SMILES notation for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate?
The canonical SMILES for 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate is O=C(OC1CC2COCC(C1)N2)c1cn(-c2ncco2)c2ccccc12.
What is the InChIKey of 3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate?
The InChIKey is QXKOYTICPVMOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-18(26-14-7-12-10-24-11-13(8-14)21-12)16-9-22(19-20-5-6-25-19)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-(1,3-oxazol-2-yl)indole-3-carboxylate?
3-oxa-9-azabicyclo[3.3.1]nonan-7-yl 1-(1,3-oxazol-2-yl)indole-3-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 2.29, 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-(1,3-oxazol-2-yl)indole-3-carboxylate is sourced from PubChem (CID 118436599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).