8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

C22H25N3O3 — CID 91940825

About 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one

8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 91940825) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 91940825
• Molecular Formula: C22H25N3O3
• Molecular Weight: 379.46 g/mol
• Exact Mass: 379.19
• IUPAC Name: 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
• SMILES: Cc1ocnc1C(=O)N1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2
• InChI: InChI=1S/C22H25N3O3/c1-17-20(23-16-28-17)21(27)24-12-9-22(10-13-24)14-19(26)25(15-22)11-5-8-18-6-3-2-4-7-18/h2-8,16H,9-15H2,1H3
• InChIKey: CECBNCBPNLHOQI-UHFFFAOYSA-N
• XLogP: 3.15
• 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	379.46
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one (CID 91940825) is 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is Cc1ocnc1C(=O)N1CCC2(CC1)CC(=O)N(CC=Cc1ccccc1)C2.

What is the InChIKey of 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is CECBNCBPNLHOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-17-20(23-16-28-17)21(27)24-12-9-22(10-13-24)14-19(26)25(15-22)11-5-8-18-6-3-2-4-7-18/h2-8,16H,9-15H2,1H3.

What are the key properties of 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one?

8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 379.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91940825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).