(3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one

C56H75ClF6N16O12S — CID 159892042

IUPAC(3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(F)(F)F)c(Cl)cn2)C1=O.CN1CC(O)N(c2cc(C(F)(F)F)n(C)n2)C1=O.CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O.COC1=C(C)C(O)N(c2cc(C(C)(C)C)ncn2)C1=O.C[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)[C@@H]1C
InChIInChI=1S/C14H19N3O3.C13H20N2O3.C10H9ClF3N3O2.C10H16N4O2S.C9H11F3N4O2/c1-8-11(20-5)13(19)17(12(8)18)10-6-9(14(2,3)4)15-7-16-10;1-7-8(2)12(17)15(11(7)16)10-6-9(18-14-10)13(3,4)5;1-16-4-8(18)17(9(16)19)7-2-5(10(12,13)14)6(11)3-15-7;1-10(2,3)7-11-12-8(17-7)14-6(15)5-13(4)9(14)16;1-14-4-7(17)16(8(14)18)6-3-5(9(10,11)12)15(2)13-6/h6-7,12,18H,1-5H3;6-8,11,16H,1-5H3;2-3,8,18H,4H2,1H3;6,15H,5H2,1-4H3;3,7,17H,4H2,1-2H3/t;7-,8+,11?;;;/m.0.../s1
InChIKeyNUWJYRBMFYFUAU-VUFIIUCPSA-N
MW1345.82 g/mol
LogP6.87
Rot. Bonds6

About (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one

(3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (PubChem CID 159892042) has the molecular formula C56H75ClF6N16O12S and a molecular weight of 1345.82 g/mol. Its IUPAC name is (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
PubChem CID159892042
Molecular FormulaC56H75ClF6N16O12S
Molecular Weight1345.82 g/mol
Exact Mass1344.51
IUPAC Name(3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one
SMILESCN1CC(O)N(c2cc(C(F)(F)F)c(Cl)cn2)C1=O.CN1CC(O)N(c2cc(C(F)(F)F)n(C)n2)C1=O.CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O.COC1=C(C)C(O)N(c2cc(C(C)(C)C)ncn2)C1=O.C[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)[C@@H]1C
InChIInChI=1S/C14H19N3O3.C13H20N2O3.C10H9ClF3N3O2.C10H16N4O2S.C9H11F3N4O2/c1-8-11(20-5)13(19)17(12(8)18)10-6-9(14(2,3)4)15-7-16-10;1-7-8(2)12(17)15(11(7)16)10-6-9(18-14-10)13(3,4)5;1-16-4-8(18)17(9(16)19)7-2-5(10(12,13)14)6(11)3-15-7;1-10(2,3)7-11-12-8(17-7)14-6(15)5-13(4)9(14)16;1-14-4-7(17)16(8(14)18)6-3-5(9(10,11)12)15(2)13-6/h6-7,12,18H,1-5H3;6-8,11,16H,1-5H3;2-3,8,18H,4H2,1H3;6,15H,5H2,1-4H3;3,7,17H,4H2,1-2H3/t;7-,8+,11?;;;/m.0.../s1
InChIKeyNUWJYRBMFYFUAU-VUFIIUCPSA-N
XLogP6.87
TPSA329.95 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds6
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001345.82
LogP ≤ 56.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-3-[(3S,4R)-2-hydroxy-3,4-dimethyl-5-oxopyrrolidin-1-yl]-1,2-oxazole-4-carbonitrile;(4S)-1-[6-(2-fluoropropan-2-yl)pyrimidin-4-yl]-5-hydroxy-3,4-dimethylimidazolidin-2-one;(4R)-5-hydroxy-3,4-dimethyl-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]pyrrolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[5-methyl-4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;5-hydroxy-3-methyl-1-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 157845261
3-(5-tert-butyl-6-chloropyridazin-3-yl)-4-hydroxy-1-methylimidazolidin-2-one;(4R)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylimidazolidin-2-one;3-(6-tert-butylpyrimidin-4-yl)-4-hydroxy-1-methylimidazolidin-2-one;(5S)-4-hydroxy-1-methoxy-5-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one;4-hydroxy-1-methyl-3-[4-(trifluoromethyl)-2-pyridinyl]imidazolidin-2-one
CID 159250540

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The IUPAC name of (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one (CID 159892042) is (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The canonical SMILES for (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is CN1CC(O)N(c2cc(C(F)(F)F)c(Cl)cn2)C1=O.CN1CC(O)N(c2cc(C(F)(F)F)n(C)n2)C1=O.CN1CC(O)N(c2nnc(C(C)(C)C)s2)C1=O.COC1=C(C)C(O)N(c2cc(C(C)(C)C)ncn2)C1=O.C[C@@H]1C(O)N(c2cc(C(C)(C)C)on2)C(=O)[C@@H]1C.
What is the InChIKey of (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
The InChIKey is NUWJYRBMFYFUAU-VUFIIUCPSA-N. The full InChI is InChI=1S/C14H19N3O3.C13H20N2O3.C10H9ClF3N3O2.C10H16N4O2S.C9H11F3N4O2/c1-8-11(20-5)13(19)17(12(8)18)10-6-9(14(2,3)4)15-7-16-10;1-7-8(2)12(17)15(11(7)16)10-6-9(18-14-10)13(3,4)5;1-16-4-8(18)17(9(16)19)7-2-5(10(12,13)14)6(11)3-15-7;1-10(2,3)7-11-12-8(17-7)14-6(15)5-13(4)9(14)16;1-14-4-7(17)16(8(14)18)6-3-5(9(10,11)12)15(2)13-6/h6-7,12,18H,1-5H3;6-8,11,16H,1-5H3;2-3,8,18H,4H2,1H3;6,15H,5H2,1-4H3;3,7,17H,4H2,1-2H3/t;7-,8+,11?;;;/m.0.../s1.
What are the key properties of (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one?
(3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one has a molecular weight of 1345.82 g/mol, XLogP of 6.87, 6 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(5-tert-butyl-1,2-oxazol-3-yl)-5-hydroxy-3,4-dimethylpyrrolidin-2-one;1-(6-tert-butylpyrimidin-4-yl)-2-hydroxy-4-methoxy-3-methyl-2H-pyrrol-5-one;3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one;3-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-4-hydroxy-1-methylimidazolidin-2-one;4-hydroxy-1-methyl-3-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 159892042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).