8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C21H27N3O3S — CID 70723870

About 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 70723870) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 70723870
• Molecular Formula: C21H27N3O3S
• Molecular Weight: 401.53 g/mol
• Exact Mass: 401.18
• IUPAC Name: 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CCc1nc(CN2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)cs1
• InChI: InChI=1S/C21H27N3O3S/c1-2-19-22-17(15-28-19)14-23-10-8-21(9-11-23)16-24(20(25)27-21)12-13-26-18-6-4-3-5-7-18/h3-7,15H,2,8-14,16H2,1H3
• InChIKey: DRCNLKRQOPDUEB-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 54.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.53
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 70723870) is 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCc1nc(CN2CCC3(CC2)CN(CCOc2ccccc2)C(=O)O3)cs1.

What is the InChIKey of 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is DRCNLKRQOPDUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-19-22-17(15-28-19)14-23-10-8-21(9-11-23)16-24(20(25)27-21)12-13-26-18-6-4-3-5-7-18/h3-7,15H,2,8-14,16H2,1H3.

What are the key properties of 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 401.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 70723870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).