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

C82H82N22O4 — CID 167661572

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline (PubChem CID 167661572) has the molecular formula C82H82N22O4 and a molecular weight of 1439.71 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline.

Molecular Properties

• Compound Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline
• PubChem CID: 167661572
• Molecular Formula: C82H82N22O4
• Molecular Weight: 1439.71 g/mol
• Exact Mass: 1438.69
• IUPAC Name: 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline
• SMILES: Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2ccnn2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2cncn2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2cnnc2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2nnnn2)cc1
• InChI: InChI=1S/3C21H21N5O.C19H19N7O/c1-14-5-6-17(21-15(2)24-27-16(21)3)11-20(14)25(4)18-7-9-19(10-8-18)26-12-22-23-13-26;1-14-5-6-17(21-15(2)24-27-16(21)3)11-20(14)25(4)18-7-9-19(10-8-18)26-13-22-12-23-26;1-14-5-6-17(21-15(2)23-27-16(21)3)13-20(14)25(4)18-7-9-19(10-8-18)26-12-11-22-24-26;1-12-5-6-15(19-13(2)20-27-14(19)3)11-18(12)25(4)16-7-9-17(10-8-16)26-23-21-22-24-26/h3*5-13H,1-4H3;5-11H,1-4H3
• InChIKey: SALXTCVDMIETMN-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 265.70 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1439.71
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline?

The IUPAC name of 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline (CID 167661572) is 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline.

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

The canonical SMILES for 5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline is Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2ccnn2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2cncn2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2cnnc2)cc1.Cc1ccc(-c2c(C)noc2C)cc1N(C)c1ccc(-n2nnnn2)cc1.

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

The InChIKey is SALXTCVDMIETMN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H21N5O.C19H19N7O/c1-14-5-6-17(21-15(2)24-27-16(21)3)11-20(14)25(4)18-7-9-19(10-8-18)26-12-22-23-13-26;1-14-5-6-17(21-15(2)24-27-16(21)3)11-20(14)25(4)18-7-9-19(10-8-18)26-13-22-12-23-26;1-14-5-6-17(21-15(2)23-27-16(21)3)13-20(14)25(4)18-7-9-19(10-8-18)26-12-11-22-24-26;1-12-5-6-15(19-13(2)20-27-14(19)3)11-18(12)25(4)16-7-9-17(10-8-16)26-23-21-22-24-26/h3*5-13H,1-4H3;5-11H,1-4H3.

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

5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline has a molecular weight of 1439.71 g/mol, XLogP of 17.25, 16 rotatable bonds, 0 hydrogen bond donors, and 26 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-(pentazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-1-yl)phenyl]aniline;5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethyl-N-[4-(1,2,4-triazol-4-yl)phenyl]aniline is sourced from PubChem (CID 167661572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).