3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene

C26H34F2N4O2 — CID 143151273

About 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene

3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene (PubChem CID 143151273) has the molecular formula C26H34F2N4O2 and a molecular weight of 472.58 g/mol. Its IUPAC name is 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene.

Molecular Properties

• Compound Name: 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene
• PubChem CID: 143151273
• Molecular Formula: C26H34F2N4O2
• Molecular Weight: 472.58 g/mol
• Exact Mass: 472.26
• IUPAC Name: 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene
• SMILES: C/C(F)=C\Cc1noc(C2CCCN2C(=O)CC(N)CCc2ccccc2F)n1.C=C/C=C\C
• InChI: InChI=1S/C21H26F2N4O2.C5H8/c1-14(22)8-11-19-25-21(29-26-19)18-7-4-12-27(18)20(28)13-16(24)10-9-15-5-2-3-6-17(15)23;1-3-5-4-2/h2-3,5-6,8,16,18H,4,7,9-13,24H2,1H3;3-5H,1H2,2H3/b14-8+;5-4-
• InChIKey: KWIMMOXTAGTOLU-ZPLWZGFLSA-N
• XLogP: 5.39
• TPSA: 85.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.58
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene?

The IUPAC name of 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene (CID 143151273) is 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene.

What is the SMILES notation for 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene?

The canonical SMILES for 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene is C/C(F)=C\Cc1noc(C2CCCN2C(=O)CC(N)CCc2ccccc2F)n1.C=C/C=C\C.

What is the InChIKey of 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene?

The InChIKey is KWIMMOXTAGTOLU-ZPLWZGFLSA-N. The full InChI is InChI=1S/C21H26F2N4O2.C5H8/c1-14(22)8-11-19-25-21(29-26-19)18-7-4-12-27(18)20(28)13-16(24)10-9-15-5-2-3-6-17(15)23;1-3-5-4-2/h2-3,5-6,8,16,18H,4,7,9-13,24H2,1H3;3-5H,1H2,2H3/b14-8+;5-4-.

What are the key properties of 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene?

3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene has a molecular weight of 472.58 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[2-[3-[(E)-3-fluorobut-2-enyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-5-(2-fluorophenyl)pentan-1-one;(3Z)-penta-1,3-diene is sourced from PubChem (CID 143151273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).