(3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C18H21N3O3S — CID 124792203

About (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

(3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124792203) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 124792203
• Molecular Formula: C18H21N3O3S
• Molecular Weight: 359.45 g/mol
• Exact Mass: 359.13
• IUPAC Name: (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: Cc1cc(C(=O)N2CC3(C[C@H](OCc4cccc(C)n4)CS3)C2)on1
• InChI: InChI=1S/C18H21N3O3S/c1-12-4-3-5-14(19-12)8-23-15-7-18(25-9-15)10-21(11-18)17(22)16-6-13(2)20-24-16/h3-6,15H,7-11H2,1-2H3/t15-/m0/s1
• InChIKey: AUHSRRGEKBTXSE-HNNXBMFYSA-N
• XLogP: 2.60
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.45
LogP ≤ 5	2.60
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)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124792203) is (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is Cc1cc(C(=O)N2CC3(C[C@H](OCc4cccc(C)n4)CS3)C2)on1.

What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is AUHSRRGEKBTXSE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-12-4-3-5-14(19-12)8-23-15-7-18(25-9-15)10-21(11-18)17(22)16-6-13(2)20-24-16/h3-6,15H,7-11H2,1-2H3/t15-/m0/s1.

What are the key properties of (3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

(3-methyl-1,2-oxazol-5-yl)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 359.45 g/mol, XLogP of 2.60, 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)-[(7S)-7-[(6-methyl-2-pyridinyl)methoxy]-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124792203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).