[4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid

C91H103B6N15O22S — CID 158610739

About [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid

[4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid (PubChem CID 158610739) has the molecular formula C91H103B6N15O22S and a molecular weight of 1855.85 g/mol. Its IUPAC name is [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid.

Molecular Properties

• Compound Name: [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
• PubChem CID: 158610739
• Molecular Formula: C91H103B6N15O22S
• Molecular Weight: 1855.85 g/mol
• Exact Mass: 1855.77
• IUPAC Name: [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid
• SMILES: CC(C)Cc1nnc(-c2ccccc2B(O)O)o1.CCCCOc1ccc(B(O)O)c(-c2nnc(C)o2)c1.CCCCOc1ccc(B(O)O)c(-c2nnc(CCC)o2)c1.CCCc1nnc(-c2ccccc2B(O)O)o1.Cc1nc(-c2nnc(-c3cc(OCCc4ccccc4)ccc3B(O)O)o2)cs1.Cn1cncc1-c1nnc(-c2cc(OCCc3ccccc3)ccc2B(O)O)o1
• InChI: InChI=1S/C20H19BN4O4.C20H18BN3O4S.C15H21BN2O4.C13H17BN2O4.C12H15BN2O3.C11H13BN2O3/c1-25-13-22-12-18(25)20-24-23-19(29-20)16-11-15(7-8-17(16)21(26)27)28-10-9-14-5-3-2-4-6-14;1-13-22-18(12-29-13)20-24-23-19(28-20)16-11-15(7-8-17(16)21(25)26)27-10-9-14-5-3-2-4-6-14;1-3-5-9-21-11-7-8-13(16(19)20)12(10-11)15-18-17-14(22-15)6-4-2;1-3-4-7-19-10-5-6-12(14(17)18)11(8-10)13-16-15-9(2)20-13;1-8(2)7-11-14-15-12(18-11)9-5-3-4-6-10(9)13(16)17;1-2-5-10-13-14-11(17-10)8-6-3-4-7-9(8)12(15)16/h2-8,11-13,26-27H,9-10H2,1H3;2-8,11-12,25-26H,9-10H2,1H3;7-8,10,19-20H,3-6,9H2,1-2H3;5-6,8,17-18H,3-4,7H2,1-2H3;3-6,8,16-17H,7H2,1-2H3;3-4,6-7,15-16H,2,5H2,1H3
• InChIKey: HWUOLKLAAFOMHR-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 543.91 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 38
• Rotatable Bonds: 36
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1855.85
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid?

The IUPAC name of [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid (CID 158610739) is [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid.

What is the SMILES notation for [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid?

The canonical SMILES for [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid is CC(C)Cc1nnc(-c2ccccc2B(O)O)o1.CCCCOc1ccc(B(O)O)c(-c2nnc(C)o2)c1.CCCCOc1ccc(B(O)O)c(-c2nnc(CCC)o2)c1.CCCc1nnc(-c2ccccc2B(O)O)o1.Cc1nc(-c2nnc(-c3cc(OCCc4ccccc4)ccc3B(O)O)o2)cs1.Cn1cncc1-c1nnc(-c2cc(OCCc3ccccc3)ccc2B(O)O)o1.

What is the InChIKey of [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid?

The InChIKey is HWUOLKLAAFOMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BN4O4.C20H18BN3O4S.C15H21BN2O4.C13H17BN2O4.C12H15BN2O3.C11H13BN2O3/c1-25-13-22-12-18(25)20-24-23-19(29-20)16-11-15(7-8-17(16)21(26)27)28-10-9-14-5-3-2-4-6-14;1-13-22-18(12-29-13)20-24-23-19(28-20)16-11-15(7-8-17(16)21(25)26)27-10-9-14-5-3-2-4-6-14;1-3-5-9-21-11-7-8-13(16(19)20)12(10-11)15-18-17-14(22-15)6-4-2;1-3-4-7-19-10-5-6-12(14(17)18)11(8-10)13-16-15-9(2)20-13;1-8(2)7-11-14-15-12(18-11)9-5-3-4-6-10(9)13(16)17;1-2-5-10-13-14-11(17-10)8-6-3-4-7-9(8)12(15)16/h2-8,11-13,26-27H,9-10H2,1H3;2-8,11-12,25-26H,9-10H2,1H3;7-8,10,19-20H,3-6,9H2,1-2H3;5-6,8,17-18H,3-4,7H2,1-2H3;3-6,8,16-17H,7H2,1-2H3;3-4,6-7,15-16H,2,5H2,1H3.

What are the key properties of [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid?

[4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid has a molecular weight of 1855.85 g/mol, XLogP of 7.34, 36 rotatable bonds, 12 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for [4-butoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[4-butoxy-2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid;[2-[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-[5-(2-methylpropyl)-1,3,4-oxadiazol-2-yl]phenyl]boronic acid;[2-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-4-(2-phenylethoxy)phenyl]boronic acid;[2-(5-propyl-1,3,4-oxadiazol-2-yl)phenyl]boronic acid is sourced from PubChem (CID 158610739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).