(9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

C16H25N3O3 — CID 131653575

IUPAC(9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCOC1C2CCC1N(C(=O)c1cc(C)nn1CC)CCO2
InChIInChI=1S/C16H25N3O3/c1-4-19-13(10-11(3)17-19)16(20)18-8-9-22-14-7-6-12(18)15(14)21-5-2/h10,12,14-15H,4-9H2,1-3H3
InChIKeyAECIZIOIJMGQRG-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.62
Rot. Bonds4

About (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone

(9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (PubChem CID 131653575) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
PubChem CID131653575
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name(9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone
SMILESCCOC1C2CCC1N(C(=O)c1cc(C)nn1CC)CCO2
InChIInChI=1S/C16H25N3O3/c1-4-19-13(10-11(3)17-19)16(20)18-8-9-22-14-7-6-12(18)15(14)21-5-2/h10,12,14-15H,4-9H2,1-3H3
InChIKeyAECIZIOIJMGQRG-UHFFFAOYSA-N
XLogP1.62
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The IUPAC name of (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone (CID 131653575) is (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The canonical SMILES for (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is CCOC1C2CCC1N(C(=O)c1cc(C)nn1CC)CCO2.
What is the InChIKey of (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
The InChIKey is AECIZIOIJMGQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-19-13(10-11(3)17-19)16(20)18-8-9-22-14-7-6-12(18)15(14)21-5-2/h10,12,14-15H,4-9H2,1-3H3.
What are the key properties of (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone?
(9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone has a molecular weight of 307.39 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethoxy-2-oxa-5-azabicyclo[4.2.1]nonan-5-yl)-(2-ethyl-5-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 131653575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).