(2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

C26H29FN4O4 — CID 165138490

About (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 165138490) has the molecular formula C26H29FN4O4 and a molecular weight of 480.54 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
• PubChem CID: 165138490
• Molecular Formula: C26H29FN4O4
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.22
• IUPAC Name: (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
• SMILES: Cc1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(C(C)C)cc2)c(=O)o1
• InChI: InChI=1S/C26H29FN4O4/c1-16(2)18-9-11-20(12-10-18)24(19-7-5-4-6-8-19)28-25(33)22-13-21(27)14-30(22)23(32)15-31-26(34)35-17(3)29-31/h4-12,16,21-22,24H,13-15H2,1-3H3,(H,28,33)/t21-,22+,24+/m1/s1
• InChIKey: WYZKJCITJLPYPB-GPXNEJASSA-N
• XLogP: 3.11
• TPSA: 97.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?

The IUPAC name of (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide (CID 165138490) is (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?

The canonical SMILES for (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is Cc1nn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)N[C@@H](c2ccccc2)c2ccc(C(C)C)cc2)c(=O)o1.

What is the InChIKey of (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?

The InChIKey is WYZKJCITJLPYPB-GPXNEJASSA-N. The full InChI is InChI=1S/C26H29FN4O4/c1-16(2)18-9-11-20(12-10-18)24(19-7-5-4-6-8-19)28-25(33)22-13-21(27)14-30(22)23(32)15-31-26(34)35-17(3)29-31/h4-12,16,21-22,24H,13-15H2,1-3H3,(H,28,33)/t21-,22+,24+/m1/s1.

What are the key properties of (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide?

(2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 480.54 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4R)-4-fluoro-1-[2-(5-methyl-2-oxo-1,3,4-oxadiazol-3-yl)acetyl]-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 165138490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).