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

C18H21N3O4 — CID 124912995

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

(3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124912995) 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)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 124912995
• Molecular Formula: C18H21N3O4
• Molecular Weight: 343.38 g/mol
• Exact Mass: 343.15
• IUPAC Name: (3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccccn2)on1
• InChI: InChI=1S/C18H21N3O4/c1-13-8-16(25-20-13)17(22)21-11-18(12-21)14(5-7-24-18)9-23-10-15-4-2-3-6-19-15/h2-4,6,8,14H,5,7,9-12H2,1H3/t14-/m1/s1
• InChIKey: WBWXRBREYSIXDI-CQSZACIVSA-N
• XLogP: 1.83
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.38
LogP ≤ 5	1.83
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)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone (CID 124912995) is (3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone.

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

The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is Cc1cc(C(=O)N2CC3(C2)OCC[C@@H]3COCc2ccccn2)on1.

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

The InChIKey is WBWXRBREYSIXDI-CQSZACIVSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13-8-16(25-20-13)17(22)21-11-18(12-21)14(5-7-24-18)9-23-10-15-4-2-3-6-19-15/h2-4,6,8,14H,5,7,9-12H2,1H3/t14-/m1/s1.

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

(3-methyl-1,2-oxazol-5-yl)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 343.38 g/mol, XLogP of 1.83, 5 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)-[(8R)-8-(pyridin-2-ylmethoxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124912995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).