(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one

C25H31N3O4 — CID 159599032

About (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one

(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one (PubChem CID 159599032) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one.

Molecular Properties

• Compound Name: (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one
• PubChem CID: 159599032
• Molecular Formula: C25H31N3O4
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.23
• IUPAC Name: (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one
• SMILES: Cc1ccc([C@]2(C)CC([C@H]3C[C@@H](O)CN3C(=O)[C@H](c3cc(C)no3)C(C)C)=NC2=O)cc1
• InChI: InChI=1S/C25H31N3O4/c1-14(2)22(21-10-16(4)27-32-21)23(30)28-13-18(29)11-20(28)19-12-25(5,24(31)26-19)17-8-6-15(3)7-9-17/h6-10,14,18,20,22,29H,11-13H2,1-5H3/t18-,20-,22+,25+/m1/s1
• InChIKey: YYXKXJJGFCGHRO-NARIEAHCSA-N
• XLogP: 3.32
• TPSA: 96.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one?

The IUPAC name of (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one (CID 159599032) is (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one.

What is the SMILES notation for (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one?

The canonical SMILES for (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one is Cc1ccc([C@]2(C)CC([C@H]3C[C@@H](O)CN3C(=O)[C@H](c3cc(C)no3)C(C)C)=NC2=O)cc1.

What is the InChIKey of (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one?

The InChIKey is YYXKXJJGFCGHRO-NARIEAHCSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-14(2)22(21-10-16(4)27-32-21)23(30)28-13-18(29)11-20(28)19-12-25(5,24(31)26-19)17-8-6-15(3)7-9-17/h6-10,14,18,20,22,29H,11-13H2,1-5H3/t18-,20-,22+,25+/m1/s1.

What are the key properties of (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one?

(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one has a molecular weight of 437.54 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one is sourced from PubChem (CID 159599032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).