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

C24H19F2N3O2 — CID 93016120

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

(2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 93016120) has the molecular formula C24H19F2N3O2 and a molecular weight of 419.43 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• PubChem CID: 93016120
• Molecular Formula: C24H19F2N3O2
• Molecular Weight: 419.43 g/mol
• Exact Mass: 419.14
• IUPAC Name: (2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• SMILES: O=C(Nc1ccccc1F)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1
• InChI: InChI=1S/C24H19F2N3O2/c25-17-7-2-1-6-16(17)15-11-12-22-20(14-15)27-23(31-22)21-10-5-13-29(21)24(30)28-19-9-4-3-8-18(19)26/h1-4,6-9,11-12,14,21H,5,10,13H2,(H,28,30)/t21-/m1/s1
• InChIKey: XNRDHFWMSBSRQT-OAQYLSRUSA-N
• XLogP: 6.14
• 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	419.43
LogP ≤ 5	6.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (CID 93016120) is (2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

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

The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCC[C@@H]1c1nc2cc(-c3ccccc3F)ccc2o1.

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

The InChIKey is XNRDHFWMSBSRQT-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19F2N3O2/c25-17-7-2-1-6-16(17)15-11-12-22-20(14-15)27-23(31-22)21-10-5-13-29(21)24(30)28-19-9-4-3-8-18(19)26/h1-4,6-9,11-12,14,21H,5,10,13H2,(H,28,30)/t21-/m1/s1.

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

(2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 419.43 g/mol, XLogP of 6.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 93016120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).