[1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone

C26H29FN4O2 — CID 55678132

About [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone

[1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone (PubChem CID 55678132) has the molecular formula C26H29FN4O2 and a molecular weight of 448.54 g/mol. Its IUPAC name is [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
• PubChem CID: 55678132
• Molecular Formula: C26H29FN4O2
• Molecular Weight: 448.54 g/mol
• Exact Mass: 448.23
• IUPAC Name: [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
• SMILES: Cc1ccc(-c2noc(C(C)N3CCN(C(=O)C4(c5cccc(F)c5)CCC4)CC3)n2)cc1
• InChI: InChI=1S/C26H29FN4O2/c1-18-7-9-20(10-8-18)23-28-24(33-29-23)19(2)30-13-15-31(16-14-30)25(32)26(11-4-12-26)21-5-3-6-22(27)17-21/h3,5-10,17,19H,4,11-16H2,1-2H3
• InChIKey: ZPNPQLAQRBXNIU-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.54
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?

The IUPAC name of [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone (CID 55678132) is [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone.

What is the SMILES notation for [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?

The canonical SMILES for [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone is Cc1ccc(-c2noc(C(C)N3CCN(C(=O)C4(c5cccc(F)c5)CCC4)CC3)n2)cc1.

What is the InChIKey of [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?

The InChIKey is ZPNPQLAQRBXNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O2/c1-18-7-9-20(10-8-18)23-28-24(33-29-23)19(2)30-13-15-31(16-14-30)25(32)26(11-4-12-26)21-5-3-6-22(27)17-21/h3,5-10,17,19H,4,11-16H2,1-2H3.

What are the key properties of [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone?

[1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone has a molecular weight of 448.54 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(3-fluorophenyl)cyclobutyl]-[4-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55678132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).