7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one

C25H28N4O4 — CID 175643902

About 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175643902) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

• Compound Name: 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
• PubChem CID: 175643902
• Molecular Formula: C25H28N4O4
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.21
• IUPAC Name: 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
• SMILES: O=C(CCCc1nc(-c2ccco2)no1)N1CCC2(CCN(CCc3ccccc3)C2=O)C1
• InChI: InChI=1S/C25H28N4O4/c30-22(10-4-9-21-26-23(27-33-21)20-8-5-17-32-20)29-16-13-25(18-29)12-15-28(24(25)31)14-11-19-6-2-1-3-7-19/h1-3,5-8,17H,4,9-16,18H2
• InChIKey: LWSVXPOWNJYELZ-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 92.68 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The IUPAC name of 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175643902) is 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one.

What is the SMILES notation for 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The canonical SMILES for 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C(CCCc1nc(-c2ccco2)no1)N1CCC2(CCN(CCc3ccccc3)C2=O)C1.

What is the InChIKey of 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?

The InChIKey is LWSVXPOWNJYELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c30-22(10-4-9-21-26-23(27-33-21)20-8-5-17-32-20)29-16-13-25(18-29)12-15-28(24(25)31)14-11-19-6-2-1-3-7-19/h1-3,5-8,17H,4,9-16,18H2.

What are the key properties of 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one?

7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 448.52 g/mol, XLogP of 3.35, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]butanoyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175643902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).