(3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

C18H21N3O4 — CID 131650035

About (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone

(3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (PubChem CID 131650035) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• PubChem CID: 131650035
• Molecular Formula: C18H21N3O4
• Molecular Weight: 343.38 g/mol
• Exact Mass: 343.15
• IUPAC Name: (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone
• SMILES: Cc1cc(C(=O)N2CC3(CC(OCc4ccccn4)CCO3)C2)on1
• InChI: InChI=1S/C18H21N3O4/c1-13-8-16(25-20-13)17(22)21-11-18(12-21)9-15(5-7-24-18)23-10-14-4-2-3-6-19-14/h2-4,6,8,15H,5,7,9-12H2,1H3
• InChIKey: ZLLLIHJWWZKGFA-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.38
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone (CID 131650035) is (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone.

What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is Cc1cc(C(=O)N2CC3(CC(OCc4ccccn4)CCO3)C2)on1.

What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

The InChIKey is ZLLLIHJWWZKGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13-8-16(25-20-13)17(22)21-11-18(12-21)9-15(5-7-24-18)23-10-14-4-2-3-6-19-14/h2-4,6,8,15H,5,7,9-12H2,1H3.

What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone?

(3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone has a molecular weight of 343.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3-methyl-1,2-oxazol-5-yl)-[8-(pyridin-2-ylmethoxy)-5-oxa-2-azaspiro[3.5]nonan-2-yl]methanone is sourced from PubChem (CID 131650035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).