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

C24H17F4N3O2 — CID 42880513

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

N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 42880513) has the molecular formula C24H17F4N3O2 and a molecular weight of 455.41 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• PubChem CID: 42880513
• Molecular Formula: C24H17F4N3O2
• Molecular Weight: 455.41 g/mol
• Exact Mass: 455.13
• IUPAC Name: N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• SMILES: O=C(Nc1ccc(F)cc1F)N1CCCC1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1
• InChI: InChI=1S/C24H17F4N3O2/c25-15-5-7-19(18(28)12-15)30-24(32)31-9-1-2-21(31)23-29-20-11-14(4-8-22(20)33-23)13-3-6-16(26)17(27)10-13/h3-8,10-12,21H,1-2,9H2,(H,30,32)
• InChIKey: FMENBROYNCAZCW-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.41
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (CID 42880513) is N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

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

The canonical SMILES for N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(F)cc1F)N1CCCC1c1nc2cc(-c3ccc(F)c(F)c3)ccc2o1.

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

The InChIKey is FMENBROYNCAZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F4N3O2/c25-15-5-7-19(18(28)12-15)30-24(32)31-9-1-2-21(31)23-29-20-11-14(4-8-22(20)33-23)13-3-6-16(26)17(27)10-13/h3-8,10-12,21H,1-2,9H2,(H,30,32).

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

N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 455.41 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 42880513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).