2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one

C108H122N18O18S4 — CID 158367545

About 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one

2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one (PubChem CID 158367545) has the molecular formula C108H122N18O18S4 and a molecular weight of 2088.54 g/mol. Its IUPAC name is 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one.

Molecular Properties

• Compound Name: 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one
• PubChem CID: 158367545
• Molecular Formula: C108H122N18O18S4
• Molecular Weight: 2088.54 g/mol
• Exact Mass: 2086.81
• IUPAC Name: 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one
• SMILES: Cc1ccsc1-c1ccc([C@]2(C)N=C(C3C[C@@H](O)CN3C(=O)C(c3cc(=O)[nH]o3)C(C)C)NC2=O)cc1.Cc1ccsc1-c1ccc([C@]2(C)N=C([C@@H]3C[C@@H](O)CN3C(=O)[C@@H](c3cc(=O)[nH]o3)C(C)C)NC2=O)cc1.Cc1noc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(c3ccc(-c4scnc4C)cc3)C2)C(C)C)n1.Cc1noc(C(C(=O)N2C[C@H](O)CC2C2=NC(=O)[C@](C)(c3ccc(-c4scnc4C)cc3)C2)C(C)C)n1
• InChI: InChI=1S/2C27H31N5O4S.2C27H30N4O5S/c2*1-14(2)22(24-29-16(4)31-36-24)25(34)32-12-19(33)10-21(32)20-11-27(5,26(35)30-20)18-8-6-17(7-9-18)23-15(3)28-13-37-23;2*1-14(2)22(20-12-21(33)30-36-20)25(34)31-13-18(32)11-19(31)24-28-26(35)27(4,29-24)17-7-5-16(6-8-17)23-15(3)9-10-37-23/h2*6-9,13-14,19,21-22,33H,10-12H2,1-5H3;2*5-10,12,14,18-19,22,32H,11,13H2,1-4H3,(H,30,33)(H,28,29,35)/t19-,21?,22?,27+;;18-,19?,22?,27+;18-,19+,22-,27+/m1.11/s1
• InChIKey: GUFFYWLVJLYKPM-KZXUGCFZSA-N
• XLogP: 13.98
• TPSA: 499.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 30
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2088.54
LogP ≤ 5	13.98
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one?

The IUPAC name of 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one (CID 158367545) is 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one.

What is the SMILES notation for 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one?

The canonical SMILES for 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one is Cc1ccsc1-c1ccc([C@]2(C)N=C(C3C[C@@H](O)CN3C(=O)C(c3cc(=O)[nH]o3)C(C)C)NC2=O)cc1.Cc1ccsc1-c1ccc([C@]2(C)N=C([C@@H]3C[C@@H](O)CN3C(=O)[C@@H](c3cc(=O)[nH]o3)C(C)C)NC2=O)cc1.Cc1noc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(c3ccc(-c4scnc4C)cc3)C2)C(C)C)n1.Cc1noc(C(C(=O)N2C[C@H](O)CC2C2=NC(=O)[C@](C)(c3ccc(-c4scnc4C)cc3)C2)C(C)C)n1.

What is the InChIKey of 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one?

The InChIKey is GUFFYWLVJLYKPM-KZXUGCFZSA-N. The full InChI is InChI=1S/2C27H31N5O4S.2C27H30N4O5S/c2*1-14(2)22(24-29-16(4)31-36-24)25(34)32-12-19(33)10-21(32)20-11-27(5,26(35)30-20)18-8-6-17(7-9-18)23-15(3)28-13-37-23;2*1-14(2)22(20-12-21(33)30-36-20)25(34)31-13-18(32)11-19(31)24-28-26(35)27(4,29-24)17-7-5-16(6-8-17)23-15(3)9-10-37-23/h2*6-9,13-14,19,21-22,33H,10-12H2,1-5H3;2*5-10,12,14,18-19,22,32H,11,13H2,1-4H3,(H,30,33)(H,28,29,35)/t19-,21?,22?,27+;;18-,19?,22?,27+;18-,19+,22-,27+/m1.11/s1.

What are the key properties of 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one?

2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one has a molecular weight of 2088.54 g/mol, XLogP of 13.98, 24 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;(4S)-2-[(4R)-4-hydroxy-1-[3-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one;5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one is sourced from PubChem (CID 158367545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).