8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane

C20H27N3O3 — CID 131653506

About 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane

8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane (PubChem CID 131653506) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

• Compound Name: 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
• PubChem CID: 131653506
• Molecular Formula: C20H27N3O3
• Molecular Weight: 357.45 g/mol
• Exact Mass: 357.21
• IUPAC Name: 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane
• SMILES: Cc1cc(CN2CCC3(CC2)COC(COCc2cccnc2)C3)no1
• InChI: InChI=1S/C20H27N3O3/c1-16-9-18(22-26-16)12-23-7-4-20(5-8-23)10-19(25-15-20)14-24-13-17-3-2-6-21-11-17/h2-3,6,9,11,19H,4-5,7-8,10,12-15H2,1H3
• InChIKey: DTXBHIRILFGFKV-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 60.62 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.45
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane?

The IUPAC name of 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane (CID 131653506) is 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane.

What is the SMILES notation for 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane?

The canonical SMILES for 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane is Cc1cc(CN2CCC3(CC2)COC(COCc2cccnc2)C3)no1.

What is the InChIKey of 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane?

The InChIKey is DTXBHIRILFGFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-16-9-18(22-26-16)12-23-7-4-20(5-8-23)10-19(25-15-20)14-24-13-17-3-2-6-21-11-17/h2-3,6,9,11,19H,4-5,7-8,10,12-15H2,1H3.

What are the key properties of 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane?

8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 357.45 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(pyridin-3-ylmethoxymethyl)-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 131653506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).