5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline

C24H26N4O — CID 155187755

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline (PubChem CID 155187755) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline
• PubChem CID: 155187755
• Molecular Formula: C24H26N4O
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.21
• IUPAC Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline
• SMILES: CCN(c1ccc(-n2cnc(C)c2)cc1)c1cc(-c2c(C)noc2C)ccc1C
• InChI: InChI=1S/C24H26N4O/c1-6-28(22-11-9-21(10-12-22)27-14-17(3)25-15-27)23-13-20(8-7-16(23)2)24-18(4)26-29-19(24)5/h7-15H,6H2,1-5H3
• InChIKey: OQPBAYKIEPTBOO-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 47.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline?

The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline (CID 155187755) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline.

What is the SMILES notation for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline?

The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline is CCN(c1ccc(-n2cnc(C)c2)cc1)c1cc(-c2c(C)noc2C)ccc1C.

What is the InChIKey of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline?

The InChIKey is OQPBAYKIEPTBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-6-28(22-11-9-21(10-12-22)27-14-17(3)25-15-27)23-13-20(8-7-16(23)2)24-18(4)26-29-19(24)5/h7-15H,6H2,1-5H3.

What are the key properties of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline?

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline has a molecular weight of 386.50 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethyl-2-methyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline is sourced from PubChem (CID 155187755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).