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

C26H25N3O2 — CID 93015962

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

(2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 93015962) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• PubChem CID: 93015962
• Molecular Formula: C26H25N3O2
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.19
• IUPAC Name: (2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
• SMILES: Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C)ccc2o1
• InChI: InChI=1S/C26H25N3O2/c1-17-8-3-5-10-20(17)19-13-14-24-22(16-19)27-25(31-24)23-12-7-15-29(23)26(30)28-21-11-6-4-9-18(21)2/h3-6,8-11,13-14,16,23H,7,12,15H2,1-2H3,(H,28,30)/t23-/m1/s1
• InChIKey: CJEISGUZTOACND-HSZRJFAPSA-N
• XLogP: 6.48
• 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	411.51
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of (2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide (CID 93015962) is (2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide.

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

The canonical SMILES for (2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is Cc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3C)ccc2o1.

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

The InChIKey is CJEISGUZTOACND-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-17-8-3-5-10-20(17)19-13-14-24-22(16-19)27-25(31-24)23-12-7-15-29(23)26(30)28-21-11-6-4-9-18(21)2/h3-6,8-11,13-14,16,23H,7,12,15H2,1-2H3,(H,28,30)/t23-/m1/s1.

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

(2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 6.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 93015962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).