(2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

C25H18F5N3O2 — CID 93016202

About (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

(2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 93016202) has the molecular formula C25H18F5N3O2 and a molecular weight of 487.43 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• PubChem CID: 93016202
• Molecular Formula: C25H18F5N3O2
• Molecular Weight: 487.43 g/mol
• Exact Mass: 487.13
• IUPAC Name: (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• SMILES: O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1
• InChI: InChI=1S/C25H18F5N3O2/c26-15-8-9-19(18(27)13-15)32-24(34)33-11-3-6-21(33)23-31-20-12-14(7-10-22(20)35-23)16-4-1-2-5-17(16)25(28,29)30/h1-2,4-5,7-10,12-13,21H,3,6,11H2,(H,32,34)/t21-/m1/s1
• InChIKey: OUWQNDQGMMTNHJ-OAQYLSRUSA-N
• XLogP: 7.16
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.43
LogP ≤ 5	7.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?

The IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (CID 93016202) is (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?

The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C(F)(F)F)ccc2o1.

What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?

The InChIKey is OUWQNDQGMMTNHJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H18F5N3O2/c26-15-8-9-19(18(27)13-15)32-24(34)33-11-3-6-21(33)23-31-20-12-14(7-10-22(20)35-23)16-4-1-2-5-17(16)25(28,29)30/h1-2,4-5,7-10,12-13,21H,3,6,11H2,(H,32,34)/t21-/m1/s1.

What are the key properties of (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide?

(2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 487.43 g/mol, XLogP of 7.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2,4-difluorophenyl)-2-[5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 93016202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).