5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline

C88H85N13O7 — CID 167703590

About 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline (PubChem CID 167703590) has the molecular formula C88H85N13O7 and a molecular weight of 1436.73 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline.

Molecular Properties

• Compound Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline
• PubChem CID: 167703590
• Molecular Formula: C88H85N13O7
• Molecular Weight: 1436.73 g/mol
• Exact Mass: 1435.67
• IUPAC Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline
• SMILES: Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-c2cnc[nH]2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-c2cnco2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-c2cnoc2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-c2cocn2)cc1
• InChI: InChI=1S/C22H22N4O.3C22H21N3O2/c1-14-5-6-18(22-15(2)25-27-16(22)3)11-21(14)26(4)19-9-7-17(8-10-19)20-12-23-13-24-20;1-14-5-6-18(22-15(2)24-27-16(22)3)11-21(14)25(4)20-9-7-17(8-10-20)19-12-23-26-13-19;1-14-5-6-18(22-15(2)24-27-16(22)3)11-21(14)25(4)19-9-7-17(8-10-19)20-12-26-13-23-20;1-14-5-6-18(22-15(2)24-27-16(22)3)11-20(14)25(4)19-9-7-17(8-10-19)21-12-23-13-26-21/h5-13H,1-4H3,(H,23,24);3*5-13H,1-4H3
• InChIKey: YTMIQHJPNDKROZ-UHFFFAOYSA-N
• XLogP: 22.49
• TPSA: 223.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1436.73
LogP ≤ 5	22.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

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-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline?

The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline (CID 167703590) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline.

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

The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline is Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-c2cnc[nH]2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-c2cnco2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-c2cnoc2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-c2cocn2)cc1.

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

The InChIKey is YTMIQHJPNDKROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O.3C22H21N3O2/c1-14-5-6-18(22-15(2)25-27-16(22)3)11-21(14)26(4)19-9-7-17(8-10-19)20-12-23-13-24-20;1-14-5-6-18(22-15(2)24-27-16(22)3)11-21(14)25(4)20-9-7-17(8-10-20)19-12-23-26-13-19;1-14-5-6-18(22-15(2)24-27-16(22)3)11-21(14)25(4)19-9-7-17(8-10-19)20-12-26-13-23-20;1-14-5-6-18(22-15(2)24-27-16(22)3)11-20(14)25(4)19-9-7-17(8-10-19)21-12-23-13-26-21/h5-13H,1-4H3,(H,23,24);3*5-13H,1-4H3.

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline has a molecular weight of 1436.73 g/mol, XLogP of 22.49, 16 rotatable bonds, 1 hydrogen bond donors, and 19 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-(1,2-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-4-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,3-oxazol-5-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1H-imidazol-5-yl)phenyl]-N,2-dimethylaniline is sourced from PubChem (CID 167703590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).