(1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol

C₁₂H₁₈N₂O₂ — CID 56666825

About (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol

(1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol (PubChem CID 56666825) has the molecular formula C₁₂H₁₈N₂O₂ and a molecular weight of 222.29 g/mol. Its IUPAC name is (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol.

Molecular Properties

• Compound Name: (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol
• PubChem CID: 56666825
• Molecular Formula: C₁₂H₁₈N₂O₂
• Molecular Weight: 222.29 g/mol
• Exact Mass: 222.14
• IUPAC Name: (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol
• SMILES: Cc1cc([C@@]2(O)CCC[C@@H]3CC[C@H]2N3)on1
• InChI: InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12-/m1/s1
• InChIKey: WSVQLAYQNDPDAM-CKYFFXLPSA-N
• XLogP: 1.48
• TPSA: 58.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.29
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol?

The IUPAC name of (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol (CID 56666825) is (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol.

What is the SMILES notation for (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol?

The canonical SMILES for (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol is Cc1cc([C@@]2(O)CCC[C@@H]3CC[C@H]2N3)on1.

What is the InChIKey of (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol?

The InChIKey is WSVQLAYQNDPDAM-CKYFFXLPSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-8-7-11(16-14-8)12(15)6-2-3-9-4-5-10(12)13-9/h7,9-10,13,15H,2-6H2,1H3/t9-,10-,12-/m1/s1.

What are the key properties of (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol?

(1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol has a molecular weight of 222.29 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2R,6R)-2-(3-methyl-1,2-oxazol-5-yl)-9-azabicyclo[4.2.1]nonan-2-ol is sourced from PubChem (CID 56666825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 56666825 — identifiers, structure, computed properties (public domain)

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