3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one

C140H155N19O26 — CID 158095334

IUPAC3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one
SMILESCCOC(=O)Cn1cc(-c2cccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(C)cc3)c2)nn1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3c(C)coc3C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cc[nH]c3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3ccccc3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cnc[nH]3)cc2)on1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)cc1
InChIInChI=1S/C26H29N5O5.C25H28N2O5.C25H26N2O4.C23H25N3O4.C22H24N4O4.C19H23N3O4/c1-3-36-24(33)16-30-15-22(28-29-30)19-5-4-6-20(11-19)26(35)31-14-21(32)12-23(31)25(34)27-13-18-9-7-17(2)8-10-18;1-15-14-31-17(3)25(15)19-7-4-18(5-8-19)6-9-23(29)22-11-20(28)13-27(22)24(30)12-21-10-16(2)26-32-21;1-17-13-22(31-26-17)15-25(30)27-16-21(28)14-23(27)24(29)12-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19;1-15-10-20(30-25-15)12-23(29)26-14-19(27)11-21(26)22(28)7-4-16-2-5-17(6-3-16)18-8-9-24-13-18;1-14-8-18(30-25-14)10-22(29)26-12-17(27)9-20(26)21(28)7-4-15-2-5-16(6-3-15)19-11-23-13-24-19;1-12-3-5-14(6-4-12)10-20-19(25)17-8-15(23)11-22(17)18(24)9-16-7-13(2)21-26-16/h4-11,15,21,23,32H,3,12-14,16H2,1-2H3,(H,27,34);4-5,7-8,10,14,20,22,28H,6,9,11-13H2,1-3H3;2-8,10-11,13,21,23,28H,9,12,14-16H2,1H3;2-3,5-6,8-10,13,19,21,24,27H,4,7,11-12,14H2,1H3;2-3,5-6,8,11,13,17,20,27H,4,7,9-10,12H2,1H3,(H,23,24);3-7,15,17,23H,8-11H2,1-2H3,(H,20,25)/t21-,23+;20-,22+;21-,23+;19-,21+;17-,20+;15-,17+/m111111/s1
InChIKeyFOPDYVOJXZAVSL-IIYVOHOXSA-N
MW2519.89 g/mol
LogP14.51
Rot. Bonds41

About 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one

3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one (PubChem CID 158095334) has the molecular formula C140H155N19O26 and a molecular weight of 2519.89 g/mol. Its IUPAC name is 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one
PubChem CID158095334
Molecular FormulaC140H155N19O26
Molecular Weight2519.89 g/mol
Exact Mass2518.14
IUPAC Name3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one
SMILESCCOC(=O)Cn1cc(-c2cccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(C)cc3)c2)nn1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3c(C)coc3C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cc[nH]c3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3ccccc3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cnc[nH]3)cc2)on1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)cc1
InChIInChI=1S/C26H29N5O5.C25H28N2O5.C25H26N2O4.C23H25N3O4.C22H24N4O4.C19H23N3O4/c1-3-36-24(33)16-30-15-22(28-29-30)19-5-4-6-20(11-19)26(35)31-14-21(32)12-23(31)25(34)27-13-18-9-7-17(2)8-10-18;1-15-14-31-17(3)25(15)19-7-4-18(5-8-19)6-9-23(29)22-11-20(28)13-27(22)24(30)12-21-10-16(2)26-32-21;1-17-13-22(31-26-17)15-25(30)27-16-21(28)14-23(27)24(29)12-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19;1-15-10-20(30-25-15)12-23(29)26-14-19(27)11-21(26)22(28)7-4-16-2-5-17(6-3-16)18-8-9-24-13-18;1-14-8-18(30-25-14)10-22(29)26-12-17(27)9-20(26)21(28)7-4-15-2-5-16(6-3-15)19-11-23-13-24-19;1-12-3-5-14(6-4-12)10-20-19(25)17-8-15(23)11-22(17)18(24)9-16-7-13(2)21-26-16/h4-11,15,21,23,32H,3,12-14,16H2,1-2H3,(H,27,34);4-5,7-8,10,14,20,22,28H,6,9,11-13H2,1-3H3;2-8,10-11,13,21,23,28H,9,12,14-16H2,1H3;2-3,5-6,8-10,13,19,21,24,27H,4,7,11-12,14H2,1H3;2-3,5-6,8,11,13,17,20,27H,4,7,9-10,12H2,1H3,(H,23,24);3-7,15,17,23H,8-11H2,1-2H3,(H,20,25)/t21-,23+;20-,22+;21-,23+;19-,21+;17-,20+;15-,17+/m111111/s1
InChIKeyFOPDYVOJXZAVSL-IIYVOHOXSA-N
XLogP14.51
TPSA614.49 Ų
H-Bond Donors10
H-Bond Acceptors35
Rotatable Bonds41
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002519.89
LogP ≤ 514.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1035

Analyze 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one?
The IUPAC name of 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one (CID 158095334) is 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one.
What is the SMILES notation for 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one?
The canonical SMILES for 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one is CCOC(=O)Cn1cc(-c2cccc(C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(C)cc3)c2)nn1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3c(C)coc3C)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cc[nH]c3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3ccccc3)cc2)on1.Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)CCc2ccc(-c3cnc[nH]3)cc2)on1.Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2cc(C)no2)cc1.
What is the InChIKey of 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one?
The InChIKey is FOPDYVOJXZAVSL-IIYVOHOXSA-N. The full InChI is InChI=1S/C26H29N5O5.C25H28N2O5.C25H26N2O4.C23H25N3O4.C22H24N4O4.C19H23N3O4/c1-3-36-24(33)16-30-15-22(28-29-30)19-5-4-6-20(11-19)26(35)31-14-21(32)12-23(31)25(34)27-13-18-9-7-17(2)8-10-18;1-15-14-31-17(3)25(15)19-7-4-18(5-8-19)6-9-23(29)22-11-20(28)13-27(22)24(30)12-21-10-16(2)26-32-21;1-17-13-22(31-26-17)15-25(30)27-16-21(28)14-23(27)24(29)12-9-18-7-10-20(11-8-18)19-5-3-2-4-6-19;1-15-10-20(30-25-15)12-23(29)26-14-19(27)11-21(26)22(28)7-4-16-2-5-17(6-3-16)18-8-9-24-13-18;1-14-8-18(30-25-14)10-22(29)26-12-17(27)9-20(26)21(28)7-4-15-2-5-16(6-3-15)19-11-23-13-24-19;1-12-3-5-14(6-4-12)10-20-19(25)17-8-15(23)11-22(17)18(24)9-16-7-13(2)21-26-16/h4-11,15,21,23,32H,3,12-14,16H2,1-2H3,(H,27,34);4-5,7-8,10,14,20,22,28H,6,9,11-13H2,1-3H3;2-8,10-11,13,21,23,28H,9,12,14-16H2,1H3;2-3,5-6,8-10,13,19,21,24,27H,4,7,11-12,14H2,1H3;2-3,5-6,8,11,13,17,20,27H,4,7,9-10,12H2,1H3,(H,23,24);3-7,15,17,23H,8-11H2,1-2H3,(H,20,25)/t21-,23+;20-,22+;21-,23+;19-,21+;17-,20+;15-,17+/m111111/s1.
What are the key properties of 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one?
3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one has a molecular weight of 2519.89 g/mol, XLogP of 14.51, 41 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dimethylfuran-3-yl)phenyl]-1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]propan-1-one;ethyl 2-[4-[3-[(2S,4R)-4-hydroxy-2-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-1-carbonyl]phenyl]triazol-1-yl]acetate;(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-imidazol-5-yl)phenyl]propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-(4-phenylphenyl)propan-1-one;1-[(2S,4R)-4-hydroxy-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]pyrrolidin-2-yl]-3-[4-(1H-pyrrol-3-yl)phenyl]propan-1-one is sourced from PubChem (CID 158095334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).