2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one

C133H171Cl2N13O20S — CID 157491595

About 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one

2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one (PubChem CID 157491595) has the molecular formula C133H171Cl2N13O20S and a molecular weight of 2374.87 g/mol. Its IUPAC name is 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one.

Molecular Properties

• Compound Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one
• PubChem CID: 157491595
• Molecular Formula: C133H171Cl2N13O20S
• Molecular Weight: 2374.87 g/mol
• Exact Mass: 2372.19
• IUPAC Name: 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one
• SMILES: CC(C)C(C(=O)N1CC(O)CC1C(=O)CCc1ccc(C#N)cc1)c1cc(C(C)(C)C)no1.CC(C)C(C(=O)N1CC(O)CC1C(=O)CCc1ccc(Cl)cc1)c1cc(C(C)(C)C)no1.CC(CC(=O)C1CC(O)CN1C(=O)C(c1cc(C(C)(C)C)no1)C(C)C)c1ccc(C#N)cc1.CC(CC(=O)C1CC(O)CN1C(=O)C(c1cc(C(C)(C)C)no1)C(C)C)c1ccc(Cl)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2CC(=O)CN2C(=O)C(c2cc(C(C)(C)C)no2)C(C)C)cc1
• InChI: InChI=1S/C29H35N3O4S.C27H35N3O4.C26H35ClN2O4.C26H33N3O4.C25H33ClN2O4/c1-17(2)26(24-14-25(31-36-24)29(4,5)6)28(35)32-15-21(33)13-22(32)23(34)12-9-19-7-10-20(11-8-19)27-18(3)30-16-37-27;1-16(2)25(23-13-24(29-34-23)27(4,5)6)26(33)30-15-20(31)12-21(30)22(32)11-17(3)19-9-7-18(14-28)8-10-19;1-15(2)24(22-13-23(28-33-22)26(4,5)6)25(32)29-14-19(30)12-20(29)21(31)11-16(3)17-7-9-18(27)10-8-17;1-16(2)24(22-13-23(28-33-22)26(3,4)5)25(32)29-15-19(30)12-20(29)21(31)11-10-17-6-8-18(14-27)9-7-17;1-15(2)23(21-13-22(27-32-21)25(3,4)5)24(31)28-14-18(29)12-19(28)20(30)11-8-16-6-9-17(26)10-7-16/h7-8,10-11,14,16-17,22,26H,9,12-13,15H2,1-6H3;7-10,13,16-17,20-21,25,31H,11-12,15H2,1-6H3;7-10,13,15-16,19-20,24,30H,11-12,14H2,1-6H3;6-9,13,16,19-20,24,30H,10-12,15H2,1-5H3;6-7,9-10,13,15,18-19,23,29H,8,11-12,14H2,1-5H3
• InChIKey: BXILUJDSSTWSEF-UHFFFAOYSA-N
• XLogP: 23.19
• TPSA: 475.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Rotatable Bonds: 36
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2374.87
LogP ≤ 5	23.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one?

The IUPAC name of 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one (CID 157491595) is 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one.

What is the SMILES notation for 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one?

The canonical SMILES for 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one is CC(C)C(C(=O)N1CC(O)CC1C(=O)CCc1ccc(C#N)cc1)c1cc(C(C)(C)C)no1.CC(C)C(C(=O)N1CC(O)CC1C(=O)CCc1ccc(Cl)cc1)c1cc(C(C)(C)C)no1.CC(CC(=O)C1CC(O)CN1C(=O)C(c1cc(C(C)(C)C)no1)C(C)C)c1ccc(C#N)cc1.CC(CC(=O)C1CC(O)CN1C(=O)C(c1cc(C(C)(C)C)no1)C(C)C)c1ccc(Cl)cc1.Cc1ncsc1-c1ccc(CCC(=O)C2CC(=O)CN2C(=O)C(c2cc(C(C)(C)C)no2)C(C)C)cc1.

What is the InChIKey of 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one?

The InChIKey is BXILUJDSSTWSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O4S.C27H35N3O4.C26H35ClN2O4.C26H33N3O4.C25H33ClN2O4/c1-17(2)26(24-14-25(31-36-24)29(4,5)6)28(35)32-15-21(33)13-22(32)23(34)12-9-19-7-10-20(11-8-19)27-18(3)30-16-37-27;1-16(2)25(23-13-24(29-34-23)27(4,5)6)26(33)30-15-20(31)12-21(30)22(32)11-17(3)19-9-7-18(14-28)8-10-19;1-15(2)24(22-13-23(28-33-22)26(4,5)6)25(32)29-14-19(30)12-20(29)21(31)11-16(3)17-7-9-18(27)10-8-17;1-16(2)24(22-13-23(28-33-22)26(3,4)5)25(32)29-15-19(30)12-20(29)21(31)11-10-17-6-8-18(14-27)9-7-17;1-15(2)23(21-13-22(27-32-21)25(3,4)5)24(31)28-14-18(29)12-19(28)20(30)11-8-16-6-9-17(26)10-7-16/h7-8,10-11,14,16-17,22,26H,9,12-13,15H2,1-6H3;7-10,13,16-17,20-21,25,31H,11-12,15H2,1-6H3;7-10,13,15-16,19-20,24,30H,11-12,14H2,1-6H3;6-9,13,16,19-20,24,30H,10-12,15H2,1-5H3;6-7,9-10,13,15,18-19,23,29H,8,11-12,14H2,1-5H3.

What are the key properties of 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one?

2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one has a molecular weight of 2374.87 g/mol, XLogP of 23.19, 36 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)butanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;2-(3-tert-butyl-1,2-oxazol-5-yl)-1-[2-[3-(4-chlorophenyl)propanoyl]-4-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one;4-[4-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-4-oxobutan-2-yl]benzonitrile;4-[3-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-4-hydroxypyrrolidin-2-yl]-3-oxopropyl]benzonitrile;1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanoyl]pyrrolidin-3-one is sourced from PubChem (CID 157491595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).