5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C25H31N3O — CID 143498217

About 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 143498217) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
• PubChem CID: 143498217
• Molecular Formula: C25H31N3O
• Molecular Weight: 389.54 g/mol
• Exact Mass: 389.25
• IUPAC Name: 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
• SMILES: C=C(/C=C\C=C/C)CCC(=C)N1CCCC(c2nc(-c3ccc(C)cc3)no2)C1
• InChI: InChI=1S/C25H31N3O/c1-5-6-7-9-19(2)11-14-21(4)28-17-8-10-23(18-28)25-26-24(27-29-25)22-15-12-20(3)13-16-22/h5-7,9,12-13,15-16,23H,2,4,8,10-11,14,17-18H2,1,3H3/b6-5-,9-7-
• InChIKey: UCNVVXHYJZZSSG-LZWBOMALSA-N
• XLogP: 6.21
• TPSA: 42.16 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.54
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?

The IUPAC name of 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 143498217) is 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is C=C(/C=C\C=C/C)CCC(=C)N1CCCC(c2nc(-c3ccc(C)cc3)no2)C1.

What is the InChIKey of 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?

The InChIKey is UCNVVXHYJZZSSG-LZWBOMALSA-N. The full InChI is InChI=1S/C25H31N3O/c1-5-6-7-9-19(2)11-14-21(4)28-17-8-10-23(18-28)25-26-24(27-29-25)22-15-12-20(3)13-16-22/h5-7,9,12-13,15-16,23H,2,4,8,10-11,14,17-18H2,1,3H3/b6-5-,9-7-.

What are the key properties of 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?

5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 389.54 g/mol, XLogP of 6.21, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[(6Z,8Z)-5-methylidenedeca-1,6,8-trien-2-yl]piperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 143498217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).