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

C22H27N3O3 — CID 45179648

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

2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45179648) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

• Compound Name: 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• PubChem CID: 45179648
• Molecular Formula: C22H27N3O3
• Molecular Weight: 381.48 g/mol
• Exact Mass: 381.21
• IUPAC Name: 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• SMILES: Cc1ncoc1C(=O)N1CCC2(CCCN(CCCc3ccccc3)C2=O)C1
• InChI: InChI=1S/C22H27N3O3/c1-17-19(28-16-23-17)20(26)25-14-11-22(15-25)10-6-13-24(21(22)27)12-5-9-18-7-3-2-4-8-18/h2-4,7-8,16H,5-6,9-15H2,1H3
• InChIKey: YAGJMUYAJZKCSJ-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 66.65 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• 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 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one?

The IUPAC name of 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one (CID 45179648) is 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one.

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

The canonical SMILES for 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one is Cc1ncoc1C(=O)N1CCC2(CCCN(CCCc3ccccc3)C2=O)C1.

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

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

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

2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 381.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methyl-1,3-oxazole-5-carbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45179648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).