2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine

C164H155N31O8S4 — CID 158159936

About 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine

2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine (PubChem CID 158159936) has the molecular formula C164H155N31O8S4 and a molecular weight of 2816.52 g/mol. Its IUPAC name is 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine.

Molecular Properties

• Compound Name: 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine
• PubChem CID: 158159936
• Molecular Formula: C164H155N31O8S4
• Molecular Weight: 2816.52 g/mol
• Exact Mass: 2814.16
• IUPAC Name: 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine
• SMILES: NC(N)=NCCc1cccc(-c2cc(-c3cccc(-c4cc(-c5cccc(CCN=C(N)N)c5)on4)c3)no2)c1.NC(N)=NCCc1cccc(-c2cnc(-c3cccc(-c4ncc(-c5cccc(CCN=C(N)N)c5)s4)c3)s2)c1.NCCc1cccc(-c2cc(-c3cccc(-c4cc(-c5cccc(CCN)c5)on4)c3)no2)c1.NCCc1cccc(-c2cnc(-c3cccc(-c4ncc(-c5cccc(CCN)c5)o4)c3)o2)c1.NCCc1cccc(-c2cnc(-c3cccc(-c4ncc(-c5cccc(CCN)c5)s4)c3)s2)c1.NCCc1cccc(-c2cnc(-c3cccc(-c4ncco4)c3)o2)c1
• InChI: InChI=1S/C30H30N8O2.C30H30N8S2.2C28H26N4O2.C28H26N4S2.C20H17N3O2/c31-29(32)35-12-10-19-4-1-8-23(14-19)27-17-25(37-39-27)21-6-3-7-22(16-21)26-18-28(40-38-26)24-9-2-5-20(15-24)11-13-36-30(33)34;31-29(32)35-12-10-19-4-1-6-21(14-19)25-17-37-27(39-25)23-8-3-9-24(16-23)28-38-18-26(40-28)22-7-2-5-20(15-22)11-13-36-30(33)34;29-12-10-19-4-1-8-23(14-19)27-17-25(31-33-27)21-6-3-7-22(16-21)26-18-28(34-32-26)24-9-2-5-20(15-24)11-13-30;2*29-12-10-19-4-1-6-21(14-19)25-17-31-27(33-25)23-8-3-9-24(16-23)28-32-18-26(34-28)22-7-2-5-20(15-22)11-13-30;21-8-7-14-3-1-4-15(11-14)18-13-23-20(25-18)17-6-2-5-16(12-17)19-22-9-10-24-19/h2*1-9,14-18H,10-13H2,(H4,31,32,35)(H4,33,34,36);3*1-9,14-18H,10-13,29-30H2;1-6,9-13H,7-8,21H2
• InChIKey: FWDJRQXEBKBYBT-UHFFFAOYSA-N
• XLogP: 29.96
• TPSA: 699.54 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 35
• Rotatable Bonds: 49
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2816.52
LogP ≤ 5	29.96
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine?

The IUPAC name of 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine (CID 158159936) is 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine.

What is the SMILES notation for 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine?

The canonical SMILES for 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine is NC(N)=NCCc1cccc(-c2cc(-c3cccc(-c4cc(-c5cccc(CCN=C(N)N)c5)on4)c3)no2)c1.NC(N)=NCCc1cccc(-c2cnc(-c3cccc(-c4ncc(-c5cccc(CCN=C(N)N)c5)s4)c3)s2)c1.NCCc1cccc(-c2cc(-c3cccc(-c4cc(-c5cccc(CCN)c5)on4)c3)no2)c1.NCCc1cccc(-c2cnc(-c3cccc(-c4ncc(-c5cccc(CCN)c5)o4)c3)o2)c1.NCCc1cccc(-c2cnc(-c3cccc(-c4ncc(-c5cccc(CCN)c5)s4)c3)s2)c1.NCCc1cccc(-c2cnc(-c3cccc(-c4ncco4)c3)o2)c1.

What is the InChIKey of 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine?

The InChIKey is FWDJRQXEBKBYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O2.C30H30N8S2.2C28H26N4O2.C28H26N4S2.C20H17N3O2/c31-29(32)35-12-10-19-4-1-8-23(14-19)27-17-25(37-39-27)21-6-3-7-22(16-21)26-18-28(40-38-26)24-9-2-5-20(15-24)11-13-36-30(33)34;31-29(32)35-12-10-19-4-1-6-21(14-19)25-17-37-27(39-25)23-8-3-9-24(16-23)28-38-18-26(40-28)22-7-2-5-20(15-22)11-13-36-30(33)34;29-12-10-19-4-1-8-23(14-19)27-17-25(31-33-27)21-6-3-7-22(16-21)26-18-28(34-32-26)24-9-2-5-20(15-24)11-13-30;2*29-12-10-19-4-1-6-21(14-19)25-17-31-27(33-25)23-8-3-9-24(16-23)28-32-18-26(34-28)22-7-2-5-20(15-22)11-13-30;21-8-7-14-3-1-4-15(11-14)18-13-23-20(25-18)17-6-2-5-16(12-17)19-22-9-10-24-19/h2*1-9,14-18H,10-13H2,(H4,31,32,35)(H4,33,34,36);3*1-9,14-18H,10-13,29-30H2;1-6,9-13H,7-8,21H2.

What are the key properties of 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine?

2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine has a molecular weight of 2816.52 g/mol, XLogP of 29.96, 49 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-oxazol-2-yl]phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine;2-[3-[3-[3-[5-[3-(2-aminoethyl)phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethanamine;2-[3-[2-[3-[5-[3-(2-aminoethyl)phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethanamine;2-[2-[3-[3-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,2-oxazol-3-yl]phenyl]-1,2-oxazol-5-yl]phenyl]ethyl]guanidine;2-[2-[3-[2-[3-[5-[3-[2-(diaminomethylideneamino)ethyl]phenyl]-1,3-thiazol-2-yl]phenyl]-1,3-thiazol-5-yl]phenyl]ethyl]guanidine;2-[3-[2-[3-(1,3-oxazol-2-yl)phenyl]-1,3-oxazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 158159936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).