4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde

C106H106N4O13S2 — CID 159695418

About 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde

4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde (PubChem CID 159695418) has the molecular formula C106H106N4O13S2 and a molecular weight of 1708.16 g/mol. Its IUPAC name is 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde.

Molecular Properties

• Compound Name: 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
• PubChem CID: 159695418
• Molecular Formula: C106H106N4O13S2
• Molecular Weight: 1708.16 g/mol
• Exact Mass: 1706.72
• IUPAC Name: 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde
• SMILES: CCCCCOc1ccc(-c2cc(-c3ccc(C=O)cc3)no2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)s2)cc1.CCCCCOc1ccc(-c2ncc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1
• InChI: InChI=1S/C22H22O3.C22H22O2S.2C21H21NO3.C20H20N2O2S/c2*1-2-3-4-15-24-20-11-9-19(10-12-20)22-14-13-21(25-22)18-7-5-17(16-23)6-8-18;1-2-3-4-13-24-19-11-9-18(10-12-19)21-22-14-20(25-21)17-7-5-16(15-23)6-8-17;1-2-3-4-13-24-19-11-9-18(10-12-19)21-14-20(22-25-21)17-7-5-16(15-23)6-8-17;1-2-3-4-13-24-18-11-9-17(10-12-18)20-22-21-19(25-20)16-7-5-15(14-23)6-8-16/h2*5-14,16H,2-4,15H2,1H3;2*5-12,14-15H,2-4,13H2,1H3;5-12,14H,2-4,13H2,1H3
• InChIKey: MWYDVEQAPDJJHX-UHFFFAOYSA-N
• XLogP: 28.49
• TPSA: 222.48 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 40
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1708.16
LogP ≤ 5	28.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?

The IUPAC name of 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde (CID 159695418) is 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde.

What is the SMILES notation for 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?

The canonical SMILES for 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde is CCCCCOc1ccc(-c2cc(-c3ccc(C=O)cc3)no2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2ccc(-c3ccc(C=O)cc3)s2)cc1.CCCCCOc1ccc(-c2ncc(-c3ccc(C=O)cc3)o2)cc1.CCCCCOc1ccc(-c2nnc(-c3ccc(C=O)cc3)s2)cc1.

What is the InChIKey of 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?

The InChIKey is MWYDVEQAPDJJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3.C22H22O2S.2C21H21NO3.C20H20N2O2S/c2*1-2-3-4-15-24-20-11-9-19(10-12-20)22-14-13-21(25-22)18-7-5-17(16-23)6-8-18;1-2-3-4-13-24-19-11-9-18(10-12-19)21-22-14-20(25-21)17-7-5-16(15-23)6-8-17;1-2-3-4-13-24-19-11-9-18(10-12-19)21-14-20(22-25-21)17-7-5-16(15-23)6-8-17;1-2-3-4-13-24-18-11-9-17(10-12-18)20-22-21-19(25-20)16-7-5-15(14-23)6-8-16/h2*5-14,16H,2-4,15H2,1H3;2*5-12,14-15H,2-4,13H2,1H3;5-12,14H,2-4,13H2,1H3.

What are the key properties of 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde?

4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde has a molecular weight of 1708.16 g/mol, XLogP of 28.49, 40 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(4-pentoxyphenyl)furan-2-yl]benzaldehyde;4-[2-(4-pentoxyphenyl)-1,3-oxazol-5-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]benzaldehyde;4-[5-(4-pentoxyphenyl)thiophen-2-yl]benzaldehyde is sourced from PubChem (CID 159695418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).