(6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

C22H27N3O3 — CID 97127084

About (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 97127084) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

• Compound Name: (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• PubChem CID: 97127084
• Molecular Formula: C22H27N3O3
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.21
• IUPAC Name: (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• SMILES: Cc1ocnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1
• InChI: InChI=1S/C22H27N3O3/c1-17-20(23-16-28-17)21(27)25-12-5-10-22(15-25)11-8-19(26)24(14-22)13-9-18-6-3-2-4-7-18/h2-4,6-7,16H,5,8-15H2,1H3/t22-/m1/s1
• InChIKey: CCYLVFXRTLIIMO-JOCHJYFZSA-N
• XLogP: 3.07
• 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	381.48
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The IUPAC name of (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 97127084) is (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one.

What is the SMILES notation for (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The canonical SMILES for (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1ocnc1C(=O)N1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1.

What is the InChIKey of (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

The InChIKey is CCYLVFXRTLIIMO-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17-20(23-16-28-17)21(27)25-12-5-10-22(15-25)11-8-19(26)24(14-22)13-9-18-6-3-2-4-7-18/h2-4,6-7,16H,5,8-15H2,1H3/t22-/m1/s1.

What are the key properties of (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one?

(6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 381.48 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97127084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).