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

C23H24N4O — CID 155331632

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline (PubChem CID 155331632) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline
• PubChem CID: 155331632
• Molecular Formula: C23H24N4O
• Molecular Weight: 372.47 g/mol
• Exact Mass: 372.20
• IUPAC Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline
• SMILES: Cc1cn(-c2ccc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2)cn1
• InChI: InChI=1S/C23H24N4O/c1-15-6-7-19(23-17(3)25-28-18(23)4)12-22(15)26(5)20-8-10-21(11-9-20)27-13-16(2)24-14-27/h6-14H,1-5H3
• InChIKey: MXDAMVJPXBXCOE-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 47.09 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	372.47
LogP ≤ 5	5.53
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,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline?

The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline (CID 155331632) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline.

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

The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline is Cc1cn(-c2ccc(N(C)c3cc(-c4c(C)noc4C)ccc3C)cc2)cn1.

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

The InChIKey is MXDAMVJPXBXCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-15-6-7-19(23-17(3)25-28-18(23)4)12-22(15)26(5)20-8-10-21(11-9-20)27-13-16(2)24-14-27/h6-14H,1-5H3.

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline has a molecular weight of 372.47 g/mol, XLogP of 5.53, 4 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,2-dimethyl-N-[4-(4-methylimidazol-1-yl)phenyl]aniline is sourced from PubChem (CID 155331632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).