1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

C15H15N3O3S — CID 124788196

About 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone

1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (PubChem CID 124788196) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

• Compound Name: 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• PubChem CID: 124788196
• Molecular Formula: C15H15N3O3S
• Molecular Weight: 317.37 g/mol
• Exact Mass: 317.08
• IUPAC Name: 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone
• SMILES: O=C(c1cocn1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1
• InChI: InChI=1S/C15H15N3O3S/c19-14(13-6-20-10-17-13)18-8-15(9-18)4-12(7-22-15)21-11-2-1-3-16-5-11/h1-3,5-6,10,12H,4,7-9H2/t12-/m0/s1
• InChIKey: AZVMHLKMYYASHL-LBPRGKRZSA-N
• XLogP: 1.85
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.37
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The IUPAC name of 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone (CID 124788196) is 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone.

What is the SMILES notation for 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The canonical SMILES for 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is O=C(c1cocn1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1.

What is the InChIKey of 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

The InChIKey is AZVMHLKMYYASHL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15N3O3S/c19-14(13-6-20-10-17-13)18-8-15(9-18)4-12(7-22-15)21-11-2-1-3-16-5-11/h1-3,5-6,10,12H,4,7-9H2/t12-/m0/s1.

What are the key properties of 1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone?

1,3-oxazol-4-yl-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone has a molecular weight of 317.37 g/mol, XLogP of 1.85, 3 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-[(7S)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 124788196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).