(5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C20H24N2O5 — CID 95808057

About (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 95808057) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

• Compound Name: (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
• PubChem CID: 95808057
• Molecular Formula: C20H24N2O5
• Molecular Weight: 372.42 g/mol
• Exact Mass: 372.17
• IUPAC Name: (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
• SMILES: CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(c2cccnc2OC)C3)o1
• InChI: InChI=1S/C20H24N2O5/c1-3-26-17-9-8-16(27-17)19(23)22-13-6-7-14(22)12-20(24,11-13)15-5-4-10-21-18(15)25-2/h4-5,8-10,13-14,24H,3,6-7,11-12H2,1-2H3/t13-,14+,20?
• InChIKey: WHHXLOKHUPRCHW-RAKKMVLPSA-N
• XLogP: 2.74
• TPSA: 85.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.42
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?

The IUPAC name of (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 95808057) is (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

What is the SMILES notation for (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?

The canonical SMILES for (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is CCOc1ccc(C(=O)N2[C@@H]3CC[C@H]2CC(O)(c2cccnc2OC)C3)o1.

What is the InChIKey of (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?

The InChIKey is WHHXLOKHUPRCHW-RAKKMVLPSA-N. The full InChI is InChI=1S/C20H24N2O5/c1-3-26-17-9-8-16(27-17)19(23)22-13-6-7-14(22)12-20(24,11-13)15-5-4-10-21-18(15)25-2/h4-5,8-10,13-14,24H,3,6-7,11-12H2,1-2H3/t13-,14+,20?.

What are the key properties of (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?

(5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 372.42 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethoxyfuran-2-yl)-[(1R,5S)-3-hydroxy-3-(2-methoxy-3-pyridinyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 95808057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).