(8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane

C21H29N3O3 — CID 124835395

About (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane

(8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane (PubChem CID 124835395) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane.

Molecular Properties

• Compound Name: (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
• PubChem CID: 124835395
• Molecular Formula: C21H29N3O3
• Molecular Weight: 371.48 g/mol
• Exact Mass: 371.22
• IUPAC Name: (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane
• SMILES: Cc1noc(C)c1CN1CC2(C[C@H](CCOCc3ccccn3)CCO2)C1
• InChI: InChI=1S/C21H29N3O3/c1-16-20(17(2)27-23-16)12-24-14-21(15-24)11-18(7-10-26-21)6-9-25-13-19-5-3-4-8-22-19/h3-5,8,18H,6-7,9-15H2,1-2H3/t18-/m1/s1
• InChIKey: SGCYTQPTCBQGKC-GOSISDBHSA-N
• XLogP: 3.27
• TPSA: 60.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.48
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?

The IUPAC name of (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane (CID 124835395) is (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane.

What is the SMILES notation for (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?

The canonical SMILES for (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane is Cc1noc(C)c1CN1CC2(C[C@H](CCOCc3ccccn3)CCO2)C1.

What is the InChIKey of (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?

The InChIKey is SGCYTQPTCBQGKC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-16-20(17(2)27-23-16)12-24-14-21(15-24)11-18(7-10-26-21)6-9-25-13-19-5-3-4-8-22-19/h3-5,8,18H,6-7,9-15H2,1-2H3/t18-/m1/s1.

What are the key properties of (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane?

(8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane has a molecular weight of 371.48 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (8R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-8-[2-(pyridin-2-ylmethoxy)ethyl]-5-oxa-2-azaspiro[3.5]nonane is sourced from PubChem (CID 124835395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).