2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one

C117H149N17O20 — CID 160642706

IUPAC2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one
SMILESCc1cc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(C)C2)C(C)C)on1.Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)C(C)(C)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)C(C)(C)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4C)cc3)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@](C)(c3ccc(-c4cccnc4C)cc3)C2)C(C)C)on1
InChIInChI=1S/2C30H34N4O4.3C19H27N3O4/c2*1-17(2)27(26-13-18(3)33-38-26)28(36)34-16-22(35)14-25(34)24-15-30(5,29(37)32-24)21-10-8-20(9-11-21)23-7-6-12-31-19(23)4;3*1-10(2)16(15-6-11(3)21-26-15)17(24)22-9-12(23)7-14(22)13-8-19(4,5)18(25)20-13/h2*6-13,17,22,25,27,35H,14-16H2,1-5H3;3*6,10,12,14,16,23H,7-9H2,1-5H3/t22-,25+,27-,30+;22-,25+,27-,30-;12-,14+,16-;12-,14-,16+;/m1111./s1
InChIKeyRJJQUENUTMXEOF-LZTIFJLBSA-N
MW2113.58 g/mol
LogP15.01
Rot. Bonds24

About 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one

2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one (PubChem CID 160642706) has the molecular formula C117H149N17O20 and a molecular weight of 2113.58 g/mol. Its IUPAC name is 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one.

Molecular Properties

Compound Name2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one
PubChem CID160642706
Molecular FormulaC117H149N17O20
Molecular Weight2113.58 g/mol
Exact Mass2112.12
IUPAC Name2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one
SMILESCc1cc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(C)C2)C(C)C)on1.Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)C(C)(C)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)C(C)(C)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4C)cc3)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@](C)(c3ccc(-c4cccnc4C)cc3)C2)C(C)C)on1
InChIInChI=1S/2C30H34N4O4.3C19H27N3O4/c2*1-17(2)27(26-13-18(3)33-38-26)28(36)34-16-22(35)14-25(34)24-15-30(5,29(37)32-24)21-10-8-20(9-11-21)23-7-6-12-31-19(23)4;3*1-10(2)16(15-6-11(3)21-26-15)17(24)22-9-12(23)7-14(22)13-8-19(4,5)18(25)20-13/h2*6-13,17,22,25,27,35H,14-16H2,1-5H3;3*6,10,12,14,16,23H,7-9H2,1-5H3/t22-,25+,27-,30+;22-,25+,27-,30-;12-,14+,16-;12-,14-,16+;/m1111./s1
InChIKeyRJJQUENUTMXEOF-LZTIFJLBSA-N
XLogP15.01
TPSA505.78 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002113.58
LogP ≤ 515.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one with MolForge

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Launch Full Analysis

Related Compounds

(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-methylphenyl)-3H-pyrrol-5-one
CID 159599032
(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-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;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-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;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-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;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-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;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-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
CID 161037145
1-[(2S,4R)-2-[(5S)-5-[4-(2-fluorophenyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 162131646
(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-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
CID 159578919
(4S)-4-[4-(2-fluorophenyl)phenyl]-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-1H-imidazol-5-one
CID 142572338
(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
CID 163497612
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)-1H-imidazol-5-one
CID 142572787
(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-1H-imidazol-5-one
CID 142572853
(4S)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 142572484
1-[(2S,4R)-2-[(5R)-5-ethyl-5-[4-(2-fluorophenyl)phenyl]-2H-1,2,4-oxadiazol-3-yl]-4-hydroxypyrrolidin-1-yl]-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butan-1-one
CID 166779149
2-[4-hydroxy-1-[3-methyl-2-(1-methyltriazol-4-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-3H-pyrrol-5-one
CID 163555134
6-[4-[(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one
CID 142572498

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one?
The IUPAC name of 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one (CID 160642706) is 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one.
What is the SMILES notation for 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one?
The canonical SMILES for 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one is Cc1cc(C(C(=O)N2CC(O)CC2C2=NC(=O)C(C)(C)C2)C(C)C)on1.Cc1cc([C@@H](C(=O)N2C[C@H](O)C[C@@H]2C2=NC(=O)C(C)(C)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)C(C)(C)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@@](C)(c3ccc(-c4cccnc4C)cc3)C2)C(C)C)on1.Cc1cc([C@H](C(=O)N2C[C@H](O)C[C@H]2C2=NC(=O)[C@](C)(c3ccc(-c4cccnc4C)cc3)C2)C(C)C)on1.
What is the InChIKey of 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one?
The InChIKey is RJJQUENUTMXEOF-LZTIFJLBSA-N. The full InChI is InChI=1S/2C30H34N4O4.3C19H27N3O4/c2*1-17(2)27(26-13-18(3)33-38-26)28(36)34-16-22(35)14-25(34)24-15-30(5,29(37)32-24)21-10-8-20(9-11-21)23-7-6-12-31-19(23)4;3*1-10(2)16(15-6-11(3)21-26-15)17(24)22-9-12(23)7-14(22)13-8-19(4,5)18(25)20-13/h2*6-13,17,22,25,27,35H,14-16H2,1-5H3;3*6,10,12,14,16,23H,7-9H2,1-5H3/t22-,25+,27-,30+;22-,25+,27-,30-;12-,14+,16-;12-,14-,16+;/m1111./s1.
What are the key properties of 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one?
2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one has a molecular weight of 2113.58 g/mol, XLogP of 15.01, 24 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4,4-dimethyl-3H-pyrrol-5-one;(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(2-methyl-3-pyridinyl)phenyl]-3H-pyrrol-5-one is sourced from PubChem (CID 160642706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).