1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

C16H17N3O4 — CID 124794656

About 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone

1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124794656) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 124794656
• Molecular Formula: C16H17N3O4
• Molecular Weight: 315.33 g/mol
• Exact Mass: 315.12
• IUPAC Name: 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: O=C(c1cocn1)N1CC2(C1)OCC[C@@H]2COc1ccccn1
• InChI: InChI=1S/C16H17N3O4/c20-15(13-8-21-11-18-13)19-9-16(10-19)12(4-6-23-16)7-22-14-3-1-2-5-17-14/h1-3,5,8,11-12H,4,6-7,9-10H2/t12-/m1/s1
• InChIKey: SOIVTMSAXKVHCX-GFCCVEGCSA-N
• XLogP: 1.38
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.33
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 124794656) is 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is O=C(c1cocn1)N1CC2(C1)OCC[C@@H]2COc1ccccn1.

What is the InChIKey of 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is SOIVTMSAXKVHCX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17N3O4/c20-15(13-8-21-11-18-13)19-9-16(10-19)12(4-6-23-16)7-22-14-3-1-2-5-17-14/h1-3,5,8,11-12H,4,6-7,9-10H2/t12-/m1/s1.

What are the key properties of 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?

1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 315.33 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-oxazol-4-yl-[(8R)-8-(pyridin-2-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124794656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).