2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide

C135H164N16O20S2 — CID 158296532

IUPAC2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CC(O)CC1C1=NC(=O)C(C)(c2ccc(-c3sccc3C)cc2)C1)C(C)(C)C.CC(=O)NC(C(=O)N1CC(O)CC1C1=NC(=O)C(C)(c2ccc(C)cc2)C1)C(C)(C)C.Cc1cc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(c3ccc(-c4sccc4C)cc3)C2)C(C)C)on1.Cc1ccc(C2(C)CC(C3CC(O)CN3C(=O)C(c3cc(C)no3)C(C)C)=NC2=O)cc1
InChIInChI=1S/C29H32N4O4.C29H33N3O4S.C28H35N3O4S.C25H31N3O4.C24H33N3O4/c1-17(2)26(25-12-18(3)32-37-25)27(35)33-16-22(34)13-24(33)23-14-29(4,28(36)31-23)21-9-7-19(8-10-21)20-6-5-11-30-15-20;1-16(2)25(24-12-18(4)31-36-24)27(34)32-15-21(33)13-23(32)22-14-29(5,28(35)30-22)20-8-6-19(7-9-20)26-17(3)10-11-37-26;1-16-11-12-36-23(16)18-7-9-19(10-8-18)28(6)14-21(30-26(28)35)22-13-20(33)15-31(22)25(34)24(27(3,4)5)29-17(2)32;1-14(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;1-14-7-9-16(10-8-14)24(6)12-18(26-22(24)31)19-11-17(29)13-27(19)21(30)20(23(3,4)5)25-15(2)28/h5-12,15,17,22,24,26,34H,13-14,16H2,1-4H3;6-12,16,21,23,25,33H,13-15H2,1-5H3;7-12,20,22,24,33H,13-15H2,1-6H3,(H,29,32);6-10,14,18,20,22,29H,11-13H2,1-5H3;7-10,17,19-20,29H,11-13H2,1-6H3,(H,25,28)
InChIKeyGLZBRAUGHVLIBN-UHFFFAOYSA-N
MW2395.02 g/mol
LogP18.45
Rot. Bonds26

About 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide

2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide (PubChem CID 158296532) has the molecular formula C135H164N16O20S2 and a molecular weight of 2395.02 g/mol. Its IUPAC name is 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
PubChem CID158296532
Molecular FormulaC135H164N16O20S2
Molecular Weight2395.02 g/mol
Exact Mass2393.17
IUPAC Name2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CC(O)CC1C1=NC(=O)C(C)(c2ccc(-c3sccc3C)cc2)C1)C(C)(C)C.CC(=O)NC(C(=O)N1CC(O)CC1C1=NC(=O)C(C)(c2ccc(C)cc2)C1)C(C)(C)C.Cc1cc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(c3ccc(-c4sccc4C)cc3)C2)C(C)C)on1.Cc1ccc(C2(C)CC(C3CC(O)CN3C(=O)C(c3cc(C)no3)C(C)C)=NC2=O)cc1
InChIInChI=1S/C29H32N4O4.C29H33N3O4S.C28H35N3O4S.C25H31N3O4.C24H33N3O4/c1-17(2)26(25-12-18(3)32-37-25)27(35)33-16-22(34)13-24(33)23-14-29(4,28(36)31-23)21-9-7-19(8-10-21)20-6-5-11-30-15-20;1-16(2)25(24-12-18(4)31-36-24)27(34)32-15-21(33)13-23(32)22-14-29(5,28(35)30-22)20-8-6-19(7-9-20)26-17(3)10-11-37-26;1-16-11-12-36-23(16)18-7-9-19(10-8-18)28(6)14-21(30-26(28)35)22-13-20(33)15-31(22)25(34)24(27(3,4)5)29-17(2)32;1-14(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;1-14-7-9-16(10-8-14)24(6)12-18(26-22(24)31)19-11-17(29)13-27(19)21(30)20(23(3,4)5)25-15(2)28/h5-12,15,17,22,24,26,34H,13-14,16H2,1-4H3;6-12,16,21,23,25,33H,13-15H2,1-5H3;7-12,20,22,24,33H,13-15H2,1-6H3,(H,29,32);6-10,14,18,20,22,29H,11-13H2,1-5H3;7-10,17,19-20,29H,11-13H2,1-6H3,(H,25,28)
InChIKeyGLZBRAUGHVLIBN-UHFFFAOYSA-N
XLogP18.45
TPSA499.03 Ų
H-Bond Donors7
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002395.02
LogP ≤ 518.45
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1026

Analyze 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide with MolForge

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Related Compounds

(2R)-1-[(2S,4R)-4-hydroxy-2-[(5R)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(2S)-1-[(2S,4R)-4-hydroxy-2-[(5S)-5-methyl-5-(4-methylphenyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-1-methylsulfonylpyrrolidine-2-carbonyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one;1-[4-hydroxy-2-[5-phenyl-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]pyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 163497609
1-[2-[3-[1-[1-[2-(3-tert-butyl-1,2-oxazol-5-yl)-3-methylbutanoyl]-5-[[2-fluoro-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxy-2-methylpropan-2-yl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[2-hydroxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 167241698
(2S,4R)-1-[(2R)-2-[3-[[(3R,5S)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-5-[[4-(1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-4-hydroxy-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134492752
(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-[3-[[(3R,5S)-1-[(2R)-3-methyl-2-[3-[[(3R,5S)-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-5-[[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-5-[[4-(1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-N-[[4-(1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134492753
(2S,4R)-1-[(2R)-2-[3-[[(3R,5S)-1-[(2R)-3,3-dimethyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-5-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 134492784
(2S,3R,4S)-3,4-dihydroxy-1-[(2S)-2-(1-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylbutanoyl]-N-[[4-[4-[(2R)-3-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)-3-oxopropyl]-1,3-thiazol-5-yl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 134579438
(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[2-[5-[4-[(1S)-1-[[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(4-pyridin-2-ylpyrazol-1-yl)butanoyl]pyrrolidine-2-carbonyl]amino]ethyl]phenyl]-1,3-thiazol-4-yl]ethyl]-1,2-oxazol-5-yl]-3-methylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 134579828
(2S,4R)-4-hydroxy-N-[[3-[(3R)-4-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-2-methyl-3-(3-methyl-1,2-oxazol-5-yl)-4-oxobutyl]-4-(1,3-thiazol-5-yl)phenyl]methyl]-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidine-2-carboxamide
CID 134580015
(2S,4R)-4-hydroxy-N-[[4-[4-[[5-[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-[4-[[5-[1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]-3-methyl-1,2-oxazol-4-yl]methyl]-1,3-thiazol-5-yl]phenyl]methylcarbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]-3-methyl-1,2-oxazol-4-yl]methyl]-1,3-thiazol-5-yl]phenyl]methyl]-1-[(2R)-2-(3-methyl-1,2-oxazol-5-yl)propanoyl]pyrrolidine-2-carboxamide
CID 134581768
(2S,3R,4S)-3,4-dihydroxy-N-[[4-[4-[(4R)-5-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-4-(3-methyl-1,2-oxazol-5-yl)-5-oxopentyl]-1,3-thiazol-5-yl]phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
CID 135172417
(2S,3R,4S)-3,4-dihydroxy-N-[[4-[4-[(2R)-3-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)-3-oxopropyl]-1,3-thiazol-5-yl]phenyl]methyl]-1-[(2S)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
CID 135173442
(2S,4R)-4-hydroxy-1-[(2R)-2-[3-[[(3R,5S)-1-[(2R)-2-[3-[[(3R,5S)-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-5-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-3-yl]oxymethyl]-1,2-oxazol-5-yl]butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 135179256

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?
The IUPAC name of 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide (CID 158296532) is 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide.
What is the SMILES notation for 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?
The canonical SMILES for 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide is CC(=O)NC(C(=O)N1CC(O)CC1C1=NC(=O)C(C)(c2ccc(-c3sccc3C)cc2)C1)C(C)(C)C.CC(=O)NC(C(=O)N1CC(O)CC1C1=NC(=O)C(C)(c2ccc(C)cc2)C1)C(C)(C)C.Cc1cc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(c3ccc(-c4cccnc4)cc3)C2)C(C)C)on1.Cc1cc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(c3ccc(-c4sccc4C)cc3)C2)C(C)C)on1.Cc1ccc(C2(C)CC(C3CC(O)CN3C(=O)C(c3cc(C)no3)C(C)C)=NC2=O)cc1.
What is the InChIKey of 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?
The InChIKey is GLZBRAUGHVLIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4.C29H33N3O4S.C28H35N3O4S.C25H31N3O4.C24H33N3O4/c1-17(2)26(25-12-18(3)32-37-25)27(35)33-16-22(34)13-24(33)23-14-29(4,28(36)31-23)21-9-7-19(8-10-21)20-6-5-11-30-15-20;1-16(2)25(24-12-18(4)31-36-24)27(34)32-15-21(33)13-23(32)22-14-29(5,28(35)30-22)20-8-6-19(7-9-20)26-17(3)10-11-37-26;1-16-11-12-36-23(16)18-7-9-19(10-8-18)28(6)14-21(30-26(28)35)22-13-20(33)15-31(22)25(34)24(27(3,4)5)29-17(2)32;1-14(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;1-14-7-9-16(10-8-14)24(6)12-18(26-22(24)31)19-11-17(29)13-27(19)21(30)20(23(3,4)5)25-15(2)28/h5-12,15,17,22,24,26,34H,13-14,16H2,1-4H3;6-12,16,21,23,25,33H,13-15H2,1-5H3;7-12,20,22,24,33H,13-15H2,1-6H3,(H,29,32);6-10,14,18,20,22,29H,11-13H2,1-5H3;7-10,17,19-20,29H,11-13H2,1-6H3,(H,25,28).
What are the key properties of 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide?
2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide has a molecular weight of 2395.02 g/mol, XLogP of 18.45, 26 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;N-[1-[4-hydroxy-2-[4-methyl-4-(4-methylphenyl)-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide;N-[1-[4-hydroxy-2-[4-methyl-4-[4-(3-methylthiophen-2-yl)phenyl]-5-oxo-3H-pyrrol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide is sourced from PubChem (CID 158296532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).