[(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone

C24H17F3N2O2 — CID 93015575

About [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone

[(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 93015575) has the molecular formula C24H17F3N2O2 and a molecular weight of 422.41 g/mol. Its IUPAC name is [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

• Compound Name: [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
• PubChem CID: 93015575
• Molecular Formula: C24H17F3N2O2
• Molecular Weight: 422.41 g/mol
• Exact Mass: 422.12
• IUPAC Name: [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone
• SMILES: O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1
• InChI: InChI=1S/C24H17F3N2O2/c25-16-4-1-3-15(11-16)24(30)29-10-2-5-21(29)23-28-20-12-14(6-9-22(20)31-23)18-8-7-17(26)13-19(18)27/h1,3-4,6-9,11-13,21H,2,5,10H2/t21-/m1/s1
• InChIKey: NNMVOKILTNAAOM-OAQYLSRUSA-N
• XLogP: 5.89
• TPSA: 46.34 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.41
LogP ≤ 5	5.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?

The IUPAC name of [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone (CID 93015575) is [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone.

What is the SMILES notation for [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?

The canonical SMILES for [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1.

What is the InChIKey of [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?

The InChIKey is NNMVOKILTNAAOM-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H17F3N2O2/c25-16-4-1-3-15(11-16)24(30)29-10-2-5-21(29)23-28-20-12-14(6-9-22(20)31-23)18-8-7-17(26)13-19(18)27/h1,3-4,6-9,11-13,21H,2,5,10H2/t21-/m1/s1.

What are the key properties of [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone?

[(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 422.41 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 93015575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).