N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide

C115H162FN13O18S2 — CID 159014250

About N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide

N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide (PubChem CID 159014250) has the molecular formula C115H162FN13O18S2 and a molecular weight of 2097.77 g/mol. Its IUPAC name is N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide
• PubChem CID: 159014250
• Molecular Formula: C115H162FN13O18S2
• Molecular Weight: 2097.77 g/mol
• Exact Mass: 2096.16
• IUPAC Name: N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide
• SMILES: CC(CC(=O)C1CC(O)CN1C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)c1ccc(-c2scnc2CO)cc1.Cc1nccn1-c1ccc(C(C)CC(=O)C2CC(O)CN2C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(C(CF)CC(=O)C2CC(O)CN2C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)cc1.Cc1nocc1-c1ccc(CCC(=O)C2CC(O)CN2C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)cc1
• InChI: InChI=1S/C29H40FN3O4S.C29H42N4O4.C29H41N3O5S.C28H39N3O5/c1-17-24(38-16-31-17)19-10-8-18(9-11-19)20(14-30)12-23(35)22-13-21(34)15-33(22)26(36)25(28(2,3)4)32-27(37)29(5,6)7;1-18(20-9-11-21(12-10-20)32-14-13-30-19(32)2)15-24(35)23-16-22(34)17-33(23)26(36)25(28(3,4)5)31-27(37)29(6,7)8;1-17(18-8-10-19(11-9-18)24-21(15-33)30-16-38-24)12-23(35)22-13-20(34)14-32(22)26(36)25(28(2,3)4)31-27(37)29(5,6)7;1-17-21(16-36-30-17)19-11-8-18(9-12-19)10-13-23(33)22-14-20(32)15-31(22)25(34)24(27(2,3)4)29-26(35)28(5,6)7/h8-11,16,20-22,25,34H,12-15H2,1-7H3,(H,32,37);9-14,18,22-23,25,34H,15-17H2,1-8H3,(H,31,37);8-11,16-17,20,22,25,33-34H,12-15H2,1-7H3,(H,31,37);8-9,11-12,16,20,22,24,32H,10,13-15H2,1-7H3,(H,29,35)
• InChIKey: JSWQBEMMTSISHI-UHFFFAOYSA-N
• XLogP: 16.05
• TPSA: 436.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 30
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2097.77
LogP ≤ 5	16.05
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide?

The IUPAC name of N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide (CID 159014250) is N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide is CC(CC(=O)C1CC(O)CN1C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)c1ccc(-c2scnc2CO)cc1.Cc1nccn1-c1ccc(C(C)CC(=O)C2CC(O)CN2C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)cc1.Cc1ncsc1-c1ccc(C(CF)CC(=O)C2CC(O)CN2C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)cc1.Cc1nocc1-c1ccc(CCC(=O)C2CC(O)CN2C(=O)C(NC(=O)C(C)(C)C)C(C)(C)C)cc1.

What is the InChIKey of N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide?

The InChIKey is JSWQBEMMTSISHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40FN3O4S.C29H42N4O4.C29H41N3O5S.C28H39N3O5/c1-17-24(38-16-31-17)19-10-8-18(9-11-19)20(14-30)12-23(35)22-13-21(34)15-33(22)26(36)25(28(2,3)4)32-27(37)29(5,6)7;1-18(20-9-11-21(12-10-20)32-14-13-30-19(32)2)15-24(35)23-16-22(34)17-33(23)26(36)25(28(3,4)5)31-27(37)29(6,7)8;1-17(18-8-10-19(11-9-18)24-21(15-33)30-16-38-24)12-23(35)22-13-20(34)14-32(22)26(36)25(28(2,3)4)31-27(37)29(5,6)7;1-17-21(16-36-30-17)19-11-8-18(9-12-19)10-13-23(33)22-14-20(32)15-31(22)25(34)24(27(2,3)4)29-26(35)28(5,6)7/h8-11,16,20-22,25,34H,12-15H2,1-7H3,(H,32,37);9-14,18,22-23,25,34H,15-17H2,1-8H3,(H,31,37);8-11,16-17,20,22,25,33-34H,12-15H2,1-7H3,(H,31,37);8-9,11-12,16,20,22,24,32H,10,13-15H2,1-7H3,(H,29,35).

What are the key properties of N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide?

N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 2097.77 g/mol, XLogP of 16.05, 30 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[4-fluoro-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-[4-(hydroxymethyl)-1,3-thiazol-5-yl]phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(2-methylimidazol-1-yl)phenyl]butanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide;N-[1-[4-hydroxy-2-[3-[4-(3-methyl-1,2-oxazol-4-yl)phenyl]propanoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 159014250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).