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

C16H17N3O3S — CID 133142855

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

(4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 133142855) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is (4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

• Compound Name: (4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
• PubChem CID: 133142855
• Molecular Formula: C16H17N3O3S
• Molecular Weight: 331.40 g/mol
• Exact Mass: 331.10
• IUPAC Name: (4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone
• SMILES: Cc1ncoc1C(=O)N1CC2(CC(Oc3cccnc3)CS2)C1
• InChI: InChI=1S/C16H17N3O3S/c1-11-14(21-10-18-11)15(20)19-8-16(9-19)5-13(7-23-16)22-12-3-2-4-17-6-12/h2-4,6,10,13H,5,7-9H2,1H3
• InChIKey: JWCRFUFXLMPION-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 68.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	331.40
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone (CID 133142855) is (4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone.

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

The canonical SMILES for (4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is Cc1ncoc1C(=O)N1CC2(CC(Oc3cccnc3)CS2)C1.

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

The InChIKey is JWCRFUFXLMPION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11-14(21-10-18-11)15(20)19-8-16(9-19)5-13(7-23-16)22-12-3-2-4-17-6-12/h2-4,6,10,13H,5,7-9H2,1H3.

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

(4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 331.40 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methyl-1,3-oxazol-5-yl)-(7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 133142855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).