[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone

C24H19ClF9N3O2 — CID 144840630

About [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone

[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone (PubChem CID 144840630) has the molecular formula C24H19ClF9N3O2 and a molecular weight of 587.87 g/mol. Its IUPAC name is [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone
• PubChem CID: 144840630
• Molecular Formula: C24H19ClF9N3O2
• Molecular Weight: 587.87 g/mol
• Exact Mass: 587.10
• IUPAC Name: [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone
• SMILES: Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)N1CCN(CC(F)(F)F)C1
• InChI: InChI=1S/C24H19ClF9N3O2/c1-13-6-14(2-3-18(13)20(38)37-5-4-36(12-37)11-22(26,27)28)19-10-21(39-35-19,24(32,33)34)15-7-16(23(29,30)31)9-17(25)8-15/h2-3,6-9H,4-5,10-12H2,1H3
• InChIKey: PMAOIYVLBLPKQF-UHFFFAOYSA-N
• XLogP: 6.53
• TPSA: 45.14 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.87
LogP ≤ 5	6.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone?

The IUPAC name of [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone (CID 144840630) is [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone.

What is the SMILES notation for [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone?

The canonical SMILES for [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone is Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)N1CCN(CC(F)(F)F)C1.

What is the InChIKey of [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone?

The InChIKey is PMAOIYVLBLPKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF9N3O2/c1-13-6-14(2-3-18(13)20(38)37-5-4-36(12-37)11-22(26,27)28)19-10-21(39-35-19,24(32,33)34)15-7-16(23(29,30)31)9-17(25)8-15/h2-3,6-9H,4-5,10-12H2,1H3.

What are the key properties of [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone?

[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone has a molecular weight of 587.87 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylphenyl]-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]methanone is sourced from PubChem (CID 144840630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).