1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

C17H19N3O4 — CID 97484872

About 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone

1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (PubChem CID 97484872) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

Molecular Properties

• Compound Name: 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
• PubChem CID: 97484872
• Molecular Formula: C17H19N3O4
• Molecular Weight: 329.36 g/mol
• Exact Mass: 329.14
• IUPAC Name: 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
• SMILES: O=C(c1cocn1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1
• InChI: InChI=1S/C17H19N3O4/c21-16(14-10-22-12-19-14)20-7-3-5-17(11-20)8-13(9-23-17)24-15-4-1-2-6-18-15/h1-2,4,6,10,12-13H,3,5,7-9,11H2/t13-,17-/m0/s1
• InChIKey: YVVXTYVVBDMQBP-GUYCJALGSA-N
• XLogP: 1.91
• TPSA: 77.69 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.36
LogP ≤ 5	1.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

The IUPAC name of 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone (CID 97484872) is 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone.

What is the SMILES notation for 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

The canonical SMILES for 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is O=C(c1cocn1)N1CCC[C@]2(C[C@H](Oc3ccccn3)CO2)C1.

What is the InChIKey of 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

The InChIKey is YVVXTYVVBDMQBP-GUYCJALGSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-16(14-10-22-12-19-14)20-7-3-5-17(11-20)8-13(9-23-17)24-15-4-1-2-6-18-15/h1-2,4,6,10,12-13H,3,5,7-9,11H2/t13-,17-/m0/s1.

What are the key properties of 1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone?

1,3-oxazol-4-yl-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone has a molecular weight of 329.36 g/mol, XLogP of 1.91, 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-[(3S,5S)-3-pyridin-2-yloxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone is sourced from PubChem (CID 97484872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).