(5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

C17H19N3O3S — CID 131692404

About (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone

(5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 131692404) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

• Compound Name: (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
• PubChem CID: 131692404
• Molecular Formula: C17H19N3O3S
• Molecular Weight: 345.42 g/mol
• Exact Mass: 345.11
• IUPAC Name: (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
• SMILES: CCc1oncc1C(=O)N1CC2(CC(Oc3ccccn3)CS2)C1
• InChI: InChI=1S/C17H19N3O3S/c1-2-14-13(8-19-23-14)16(21)20-10-17(11-20)7-12(9-24-17)22-15-5-3-4-6-18-15/h3-6,8,12H,2,7,9-11H2,1H3
• InChIKey: RVJZCZKSDRHTJY-UHFFFAOYSA-N
• XLogP: 2.41
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.42
LogP ≤ 5	2.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?

The IUPAC name of (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (CID 131692404) is (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

What is the SMILES notation for (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?

The canonical SMILES for (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is CCc1oncc1C(=O)N1CC2(CC(Oc3ccccn3)CS2)C1.

What is the InChIKey of (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?

The InChIKey is RVJZCZKSDRHTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-2-14-13(8-19-23-14)16(21)20-10-17(11-20)7-12(9-24-17)22-15-5-3-4-6-18-15/h3-6,8,12H,2,7,9-11H2,1H3.

What are the key properties of (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone?

(5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 345.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-ethyl-1,2-oxazol-4-yl)-(7-pyridin-2-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 131692404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).