4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol

C114H109Br2N17O17 — CID 161251366

About 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol

4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 161251366) has the molecular formula C114H109Br2N17O17 and a molecular weight of 2149.04 g/mol. Its IUPAC name is 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

• Compound Name: 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
• PubChem CID: 161251366
• Molecular Formula: C114H109Br2N17O17
• Molecular Weight: 2149.04 g/mol
• Exact Mass: 2145.66
• IUPAC Name: 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
• SMILES: NC1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1.NCCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.Oc1ccc(-c2nc(-c3ccc(NC4CCNCC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC4CCC=C4Br)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC4CCCC=C4Br)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC4CCNCC4)cc3)no2)cc1
• InChI: InChI=1S/C20H17BrN2O3.C20H21N3O3.C19H15BrN2O3.C19H20N4O2.C19H19N3O3.C17H17N3O3/c21-17-3-1-2-4-18(17)25-16-11-7-13(8-12-16)19-22-20(26-23-19)14-5-9-15(24)10-6-14;21-15-5-11-18(12-6-15)25-17-9-3-13(4-10-17)19-22-20(26-23-19)14-1-7-16(24)8-2-14;20-16-2-1-3-17(16)24-15-10-6-12(7-11-15)18-21-19(25-22-18)13-4-8-14(23)9-5-13;24-17-7-3-14(4-8-17)19-22-18(23-25-19)13-1-5-15(6-2-13)21-16-9-11-20-12-10-16;23-15-5-1-14(2-6-15)19-21-18(22-25-19)13-3-7-16(8-4-13)24-17-9-11-20-12-10-17;18-10-1-11-22-15-8-4-12(5-9-15)16-19-17(23-20-16)13-2-6-14(21)7-3-13/h3,5-12,18,24H,1-2,4H2;1-4,7-10,15,18,24H,5-6,11-12,21H2;2,4-11,17,23H,1,3H2;1-8,16,20-21,24H,9-12H2;1-8,17,20,23H,9-12H2;2-9,21H,1,10-11,18H2
• InChIKey: VBHXDPLKYJAHFS-UHFFFAOYSA-N
• XLogP: 23.36
• TPSA: 489.18 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 34
• Rotatable Bonds: 26
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.04
LogP ≤ 5	23.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?

The IUPAC name of 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol (CID 161251366) is 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol.

What is the SMILES notation for 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?

The canonical SMILES for 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is NC1CCC(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)CC1.NCCCOc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1.Oc1ccc(-c2nc(-c3ccc(NC4CCNCC4)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC4CCC=C4Br)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC4CCCC=C4Br)cc3)no2)cc1.Oc1ccc(-c2nc(-c3ccc(OC4CCNCC4)cc3)no2)cc1.

What is the InChIKey of 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?

The InChIKey is VBHXDPLKYJAHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3.C20H21N3O3.C19H15BrN2O3.C19H20N4O2.C19H19N3O3.C17H17N3O3/c21-17-3-1-2-4-18(17)25-16-11-7-13(8-12-16)19-22-20(26-23-19)14-5-9-15(24)10-6-14;21-15-5-11-18(12-6-15)25-17-9-3-13(4-10-17)19-22-20(26-23-19)14-1-7-16(24)8-2-14;20-16-2-1-3-17(16)24-15-10-6-12(7-11-15)18-21-19(25-22-18)13-4-8-14(23)9-5-13;24-17-7-3-14(4-8-17)19-22-18(23-25-19)13-1-5-15(6-2-13)21-16-9-11-20-12-10-16;23-15-5-1-14(2-6-15)19-21-18(22-25-19)13-3-7-16(8-4-13)24-17-9-11-20-12-10-17;18-10-1-11-22-15-8-4-12(5-9-15)16-19-17(23-20-16)13-2-6-14(21)7-3-13/h3,5-12,18,24H,1-2,4H2;1-4,7-10,15,18,24H,5-6,11-12,21H2;2,4-11,17,23H,1,3H2;1-8,16,20-21,24H,9-12H2;1-8,17,20,23H,9-12H2;2-9,21H,1,10-11,18H2.

What are the key properties of 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol?

4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 2149.04 g/mol, XLogP of 23.36, 26 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[4-(4-aminocyclohexyl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(3-aminopropoxy)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclohex-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(2-bromocyclopent-2-en-1-yl)oxyphenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-[4-(piperidin-4-ylamino)phenyl]-1,2,4-oxadiazol-5-yl]phenol;4-[3-(4-piperidin-4-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 161251366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).