2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H24FN3O3 — CID 45220872

About 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45220872) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45220872
• Molecular Formula: C21H24FN3O3
• Molecular Weight: 385.44 g/mol
• Exact Mass: 385.18
• IUPAC Name: 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• SMILES: CCc1ocnc1C(=O)N1CCC2(CCCN(Cc3ccccc3F)C2=O)C1
• InChI: InChI=1S/C21H24FN3O3/c1-2-17-18(23-14-28-17)19(26)25-11-9-21(13-25)8-5-10-24(20(21)27)12-15-6-3-4-7-16(15)22/h3-4,6-7,14H,2,5,8-13H2,1H3
• InChIKey: DCRQWAGJNAIVIL-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.44
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45220872) is 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

What is the SMILES notation for 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The canonical SMILES for 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CCc1ocnc1C(=O)N1CCC2(CCCN(Cc3ccccc3F)C2=O)C1.

What is the InChIKey of 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

The InChIKey is DCRQWAGJNAIVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-2-17-18(23-14-28-17)19(26)25-11-9-21(13-25)8-5-10-24(20(21)27)12-15-6-3-4-7-16(15)22/h3-4,6-7,14H,2,5,8-13H2,1H3.

What are the key properties of 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?

2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 385.44 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-ethyl-1,3-oxazole-4-carbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45220872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).