1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine

C24H24Cl2F3N3O — CID 89203476

About 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine

1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine (PubChem CID 89203476) has the molecular formula C24H24Cl2F3N3O and a molecular weight of 498.38 g/mol. Its IUPAC name is 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine.

Molecular Properties

• Compound Name: 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine
• PubChem CID: 89203476
• Molecular Formula: C24H24Cl2F3N3O
• Molecular Weight: 498.38 g/mol
• Exact Mass: 497.12
• IUPAC Name: 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine
• SMILES: C=C(NCC(=C)N(C)C)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C
• InChI: InChI=1S/C24H24Cl2F3N3O/c1-14-8-17(6-7-21(14)16(3)30-13-15(2)32(4)5)22-12-23(33-31-22,24(27,28)29)18-9-19(25)11-20(26)10-18/h6-11,30H,2-3,12-13H2,1,4-5H3
• InChIKey: GALXOBGENPGRQD-UHFFFAOYSA-N
• XLogP: 6.52
• TPSA: 36.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.38
LogP ≤ 5	6.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine?

The IUPAC name of 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine (CID 89203476) is 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine.

What is the SMILES notation for 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine?

The canonical SMILES for 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine is C=C(NCC(=C)N(C)C)c1ccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C.

What is the InChIKey of 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine?

The InChIKey is GALXOBGENPGRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2F3N3O/c1-14-8-17(6-7-21(14)16(3)30-13-15(2)32(4)5)22-12-23(33-31-22,24(27,28)29)18-9-19(25)11-20(26)10-18/h6-11,30H,2-3,12-13H2,1,4-5H3.

What are the key properties of 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine?

1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine has a molecular weight of 498.38 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]ethenyl]-2-N,2-N-dimethylprop-2-ene-1,2-diamine is sourced from PubChem (CID 89203476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).