N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline

C91H90BrClN14O5S2 — CID 165020810

About N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline

N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline (PubChem CID 165020810) has the molecular formula C91H90BrClN14O5S2 and a molecular weight of 1639.30 g/mol. Its IUPAC name is N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline.

Molecular Properties

• Compound Name: N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline
• PubChem CID: 165020810
• Molecular Formula: C91H90BrClN14O5S2
• Molecular Weight: 1639.30 g/mol
• Exact Mass: 1636.55
• IUPAC Name: N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline
• SMILES: CCN(c1ccc(-c2cncs2)cc1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(-c2cnsc2)cc1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(-c2ncno2)cc1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(-n2cnc(Cl)c2)c(Br)c1)c1cc(-c2c(C)noc2C)ccc1C
• InChI: InChI=1S/C23H22BrClN4O.2C23H23N3OS.C22H22N4O2/c1-5-29(18-8-9-20(19(24)11-18)28-12-22(25)26-13-28)21-10-17(7-6-14(21)2)23-15(3)27-30-16(23)4;1-5-26(21-10-8-18(9-11-21)20-13-24-28-14-20)22-12-19(7-6-15(22)2)23-16(3)25-27-17(23)4;1-5-26(20-10-8-18(9-11-20)22-13-24-14-28-22)21-12-19(7-6-15(21)2)23-16(3)25-27-17(23)4;1-5-26(19-10-8-17(9-11-19)22-23-13-24-28-22)20-12-18(7-6-14(20)2)21-15(3)25-27-16(21)4/h6-13H,5H2,1-4H3;2*6-14H,5H2,1-4H3;6-13H,5H2,1-4H3
• InChIKey: LCZFMHCEVXVSEB-UHFFFAOYSA-N
• XLogP: 25.60
• TPSA: 199.60 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 20
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1639.30
LogP ≤ 5	25.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline?

The IUPAC name of N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline (CID 165020810) is N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline.

What is the SMILES notation for N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline?

The canonical SMILES for N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline is CCN(c1ccc(-c2cncs2)cc1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(-c2cnsc2)cc1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(-c2ncno2)cc1)c1cc(-c2c(C)noc2C)ccc1C.CCN(c1ccc(-n2cnc(Cl)c2)c(Br)c1)c1cc(-c2c(C)noc2C)ccc1C.

What is the InChIKey of N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline?

The InChIKey is LCZFMHCEVXVSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrClN4O.2C23H23N3OS.C22H22N4O2/c1-5-29(18-8-9-20(19(24)11-18)28-12-22(25)26-13-28)21-10-17(7-6-14(21)2)23-15(3)27-30-16(23)4;1-5-26(21-10-8-18(9-11-21)20-13-24-28-14-20)22-12-19(7-6-15(22)2)23-16(3)25-27-17(23)4;1-5-26(20-10-8-18(9-11-20)22-13-24-14-28-22)21-12-19(7-6-15(21)2)23-16(3)25-27-17(23)4;1-5-26(19-10-8-17(9-11-19)22-23-13-24-28-22)20-12-18(7-6-14(20)2)21-15(3)25-27-16(21)4/h6-13H,5H2,1-4H3;2*6-14H,5H2,1-4H3;6-13H,5H2,1-4H3.

What are the key properties of N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline?

N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline has a molecular weight of 1639.30 g/mol, XLogP of 25.60, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-bromo-4-(4-chloroimidazol-1-yl)phenyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methylaniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2,4-oxadiazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,2-thiazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(1,3-thiazol-5-yl)phenyl]aniline is sourced from PubChem (CID 165020810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).