1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

C19H25N5O3 — CID 138016212

About 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one

1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (PubChem CID 138016212) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
• PubChem CID: 138016212
• Molecular Formula: C19H25N5O3
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.20
• IUPAC Name: 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
• SMILES: CCN1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC12CCOC2
• InChI: InChI=1S/C19H25N5O3/c1-2-24-11-10-23(13-19(24)8-12-26-14-19)17(25)7-6-16-21-18(22-27-16)15-5-3-4-9-20-15/h3-5,9H,2,6-8,10-14H2,1H3
• InChIKey: SMAZGNGKBJODKI-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 84.59 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?

The IUPAC name of 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one (CID 138016212) is 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one.

What is the SMILES notation for 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?

The canonical SMILES for 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is CCN1CCN(C(=O)CCc2nc(-c3ccccn3)no2)CC12CCOC2.

What is the InChIKey of 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?

The InChIKey is SMAZGNGKBJODKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-2-24-11-10-23(13-19(24)8-12-26-14-19)17(25)7-6-16-21-18(22-27-16)15-5-3-4-9-20-15/h3-5,9H,2,6-8,10-14H2,1H3.

What are the key properties of 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one?

1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one has a molecular weight of 371.44 g/mol, XLogP of 1.39, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-ethyl-2-oxa-6,9-diazaspiro[4.5]decan-9-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one is sourced from PubChem (CID 138016212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).