(2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

C24H19ClFN3O2 — CID 93016112

About (2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide

(2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 93016112) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is (2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• PubChem CID: 93016112
• Molecular Formula: C24H19ClFN3O2
• Molecular Weight: 435.89 g/mol
• Exact Mass: 435.11
• IUPAC Name: (2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• SMILES: O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1
• InChI: InChI=1S/C24H19ClFN3O2/c25-16-5-3-6-17(14-16)27-24(30)29-12-4-9-21(29)23-28-20-13-15(10-11-22(20)31-23)18-7-1-2-8-19(18)26/h1-3,5-8,10-11,13-14,21H,4,9,12H2,(H,27,30)/t21-/m1/s1
• InChIKey: GSWHGTVCKNDKCG-OAQYLSRUSA-N
• XLogP: 6.66
• TPSA: 58.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.89
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (CID 93016112) is (2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

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

The canonical SMILES for (2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1.

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

The InChIKey is GSWHGTVCKNDKCG-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c25-16-5-3-6-17(14-16)27-24(30)29-12-4-9-21(29)23-28-20-13-15(10-11-22(20)31-23)18-7-1-2-8-19(18)26/h1-3,5-8,10-11,13-14,21H,4,9,12H2,(H,27,30)/t21-/m1/s1.

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

(2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 435.89 g/mol, XLogP of 6.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(3-chlorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 93016112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).