(5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate

C23H18ClF6N3O4 — CID 123147524

About (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate

(5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate (PubChem CID 123147524) has the molecular formula C23H18ClF6N3O4 and a molecular weight of 549.86 g/mol. Its IUPAC name is (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate.

Molecular Properties

• Compound Name: (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
• PubChem CID: 123147524
• Molecular Formula: C23H18ClF6N3O4
• Molecular Weight: 549.86 g/mol
• Exact Mass: 549.09
• IUPAC Name: (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
• SMILES: Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)OCN1CNCC1=O
• InChI: InChI=1S/C23H18ClF6N3O4/c1-12-4-13(2-3-17(12)20(35)36-11-33-10-31-9-19(33)34)18-8-21(37-32-18,23(28,29)30)14-5-15(22(25,26)27)7-16(24)6-14/h2-7,31H,8-11H2,1H3
• InChIKey: TUAZPUSOOXODJU-UHFFFAOYSA-N
• XLogP: 4.75
• TPSA: 80.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	549.86
LogP ≤ 5	4.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate?

The IUPAC name of (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate (CID 123147524) is (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate.

What is the SMILES notation for (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate?

The canonical SMILES for (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate is Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)OCN1CNCC1=O.

What is the InChIKey of (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate?

The InChIKey is TUAZPUSOOXODJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF6N3O4/c1-12-4-13(2-3-17(12)20(35)36-11-33-10-31-9-19(33)34)18-8-21(37-32-18,23(28,29)30)14-5-15(22(25,26)27)7-16(24)6-14/h2-7,31H,8-11H2,1H3.

What are the key properties of (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate?

(5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate has a molecular weight of 549.86 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5-oxoimidazolidin-1-yl)methyl 4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate is sourced from PubChem (CID 123147524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).