[2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol

C135H98Br2N16O28S — CID 167653769

About [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol

[2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol (PubChem CID 167653769) has the molecular formula C135H98Br2N16O28S and a molecular weight of 2584.23 g/mol. Its IUPAC name is [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol.

Molecular Properties

• Compound Name: [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol
• PubChem CID: 167653769
• Molecular Formula: C135H98Br2N16O28S
• Molecular Weight: 2584.23 g/mol
• Exact Mass: 2580.48
• IUPAC Name: [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol
• SMILES: CC(=O)Oc1ccccc1-c1noc(-c2ccccc2OC(C)=O)n1.COc1ccc(-c2ccccc2)c(-c2nnc(-c3ccccc3O)o2)c1O.COc1ccc(-c2ccsc2)c(-c2nnc(-c3ccccc3O)o2)c1O.COc1ccc(Br)c(-c2nnc(-c3ccccc3O)o2)c1O.Oc1ccccc1-c1nc(-c2ccccc2Br)no1.Oc1ccccc1-c1nnc(-c2cc(-c3ccccc3)ccc2O)o1.Oc1ccccc1-c1nnc(-c2ccccc2O)o1.Oc1ccccc1-c1noc(-c2ccccc2O)n1
• InChI: InChI=1S/C21H16N2O4.C20H14N2O3.C19H14N2O4S.C18H14N2O5.C15H11BrN2O4.C14H9BrN2O2.2C14H10N2O3/c1-26-17-12-11-14(13-7-3-2-4-8-13)18(19(17)25)21-23-22-20(27-21)15-9-5-6-10-16(15)24;23-17-9-5-4-8-15(17)19-21-22-20(25-19)16-12-14(10-11-18(16)24)13-6-2-1-3-7-13;1-24-15-7-6-12(11-8-9-26-10-11)16(17(15)23)19-21-20-18(25-19)13-4-2-3-5-14(13)22;1-11(21)23-15-9-5-3-7-13(15)17-19-18(25-20-17)14-8-4-6-10-16(14)24-12(2)22;1-21-11-7-6-9(16)12(13(11)20)15-18-17-14(22-15)8-4-2-3-5-10(8)19;15-11-7-3-1-5-9(11)13-16-14(19-17-13)10-6-2-4-8-12(10)18;17-11-7-3-1-5-9(11)13-15-16-14(19-13)10-6-2-4-8-12(10)18;17-11-7-3-1-5-9(11)13-15-14(19-16-13)10-6-2-4-8-12(10)18/h2-12,24-25H,1H3;1-12,23-24H;2-10,22-23H,1H3;3-10H,1-2H3;2-7,19-20H,1H3;1-8,18H;2*1-8,17-18H
• InChIKey: QYKKHBAYKPCDOH-UHFFFAOYSA-N
• XLogP: 29.87
• TPSA: 654.64 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 24
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2584.23
LogP ≤ 5	29.87
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol?

The IUPAC name of [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol (CID 167653769) is [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol.

What is the SMILES notation for [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol?

The canonical SMILES for [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol is CC(=O)Oc1ccccc1-c1noc(-c2ccccc2OC(C)=O)n1.COc1ccc(-c2ccccc2)c(-c2nnc(-c3ccccc3O)o2)c1O.COc1ccc(-c2ccsc2)c(-c2nnc(-c3ccccc3O)o2)c1O.COc1ccc(Br)c(-c2nnc(-c3ccccc3O)o2)c1O.Oc1ccccc1-c1nc(-c2ccccc2Br)no1.Oc1ccccc1-c1nnc(-c2cc(-c3ccccc3)ccc2O)o1.Oc1ccccc1-c1nnc(-c2ccccc2O)o1.Oc1ccccc1-c1noc(-c2ccccc2O)n1.

What is the InChIKey of [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol?

The InChIKey is QYKKHBAYKPCDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4.C20H14N2O3.C19H14N2O4S.C18H14N2O5.C15H11BrN2O4.C14H9BrN2O2.2C14H10N2O3/c1-26-17-12-11-14(13-7-3-2-4-8-13)18(19(17)25)21-23-22-20(27-21)15-9-5-6-10-16(15)24;23-17-9-5-4-8-15(17)19-21-22-20(25-19)16-12-14(10-11-18(16)24)13-6-2-1-3-7-13;1-24-15-7-6-12(11-8-9-26-10-11)16(17(15)23)19-21-20-18(25-19)13-4-2-3-5-14(13)22;1-11(21)23-15-9-5-3-7-13(15)17-19-18(25-20-17)14-8-4-6-10-16(14)24-12(2)22;1-21-11-7-6-9(16)12(13(11)20)15-18-17-14(22-15)8-4-2-3-5-10(8)19;15-11-7-3-1-5-9(11)13-16-14(19-17-13)10-6-2-4-8-12(10)18;17-11-7-3-1-5-9(11)13-15-16-14(19-13)10-6-2-4-8-12(10)18;17-11-7-3-1-5-9(11)13-15-14(19-16-13)10-6-2-4-8-12(10)18/h2-12,24-25H,1H3;1-12,23-24H;2-10,22-23H,1H3;3-10H,1-2H3;2-7,19-20H,1H3;1-8,18H;2*1-8,17-18H.

What are the key properties of [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol?

[2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol has a molecular weight of 2584.23 g/mol, XLogP of 29.87, 24 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[5-(2-acetyloxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl] acetate;3-bromo-2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxyphenol;2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-phenylphenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-6-methoxy-3-thiophen-3-ylphenol;2-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]phenol;2-[5-(2-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylphenol is sourced from PubChem (CID 167653769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).