1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C24H27FN4O3 — CID 56526377

About 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 56526377) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
• PubChem CID: 56526377
• Molecular Formula: C24H27FN4O3
• Molecular Weight: 438.50 g/mol
• Exact Mass: 438.21
• IUPAC Name: 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
• SMILES: CCc1c(C(=O)CN2CCCC(c3nc(-c4cccc(F)c4)no3)C2)[nH]c(C)c1C(C)=O
• InChI: InChI=1S/C24H27FN4O3/c1-4-19-21(15(3)30)14(2)26-22(19)20(31)13-29-10-6-8-17(12-29)24-27-23(28-32-24)16-7-5-9-18(25)11-16/h5,7,9,11,17,26H,4,6,8,10,12-13H2,1-3H3
• InChIKey: JJHVCUFRIAJTLY-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 92.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.50
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?

The IUPAC name of 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 56526377) is 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is CCc1c(C(=O)CN2CCCC(c3nc(-c4cccc(F)c4)no3)C2)[nH]c(C)c1C(C)=O.

What is the InChIKey of 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?

The InChIKey is JJHVCUFRIAJTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c1-4-19-21(15(3)30)14(2)26-22(19)20(31)13-29-10-6-8-17(12-29)24-27-23(28-32-24)16-7-5-9-18(25)11-16/h5,7,9,11,17,26H,4,6,8,10,12-13H2,1-3H3.

What are the key properties of 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?

1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 438.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-2-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56526377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).