1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one

C156H212F3N31O42S10 — CID 158989575

IUPAC1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one
SMILESCC(C)(C(=O)CC1=NN=C(c2nccs2)C1)S(=O)(=O)C1CCOCC1.CC(C)(C(=O)NC1=NC(c2ncco2)=NC1)S(=O)(=O)C1CCOCC1.CC(C)(c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1)c1cnc(-c2ccccc2)o1.CC(C)CCS(=O)(=O)C(C)(C)C(=O)CC1=NN=C(c2ncco2)C1.Cc1cc(-c2n[nH]c(CC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)n2)n(C)n1.Cc1cc(-c2n[nH]c(CC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)n2)no1.Cc1cc(C2=NN=C(CC(=O)C(C)(C)S(=O)(=O)CCC(C)C)C2)no1.Cc1cc(C2=NN=C(CC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)C2)no1.Cc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)on2)o1
InChIInChI=1S/C24H29N3O6S.C19H27N3O6S.C17H25N5O4S.C17H25N3O4S.C16H20F3N3O4S.C16H22N4O5S.C16H21N3O4S2.C16H23N3O4S.C15H20N4O5S/c1-23(2,19-15-25-21(32-19)16-8-6-5-7-9-16)18-14-20(33-27-18)26-22(28)24(3,4)34(29,30)17-10-12-31-13-11-17;1-12-20-11-15(27-12)18(2,3)14-10-16(28-22-14)21-17(23)19(4,5)29(24,25)13-6-8-26-9-7-13;1-11-9-13(22(4)21-11)16-18-15(19-20-16)10-14(23)17(2,3)27(24,25)12-5-7-26-8-6-12;1-11(2)6-7-25(22,23)17(4,5)16(21)10-13-9-14(19-18-13)15-8-12(3)24-20-15;1-10-7-13(22-26-10)12-8-11(20-21-12)9-14(23)15(2,3)27(24,25)6-4-5-16(17,18)19;1-10-8-12(20-25-10)15-17-14(18-19-15)9-13(21)16(2,3)26(22,23)11-4-6-24-7-5-11;1-16(2,25(21,22)12-3-6-23-7-4-12)14(20)10-11-9-13(19-18-11)15-17-5-8-24-15;1-11(2)5-8-24(21,22)16(3,4)14(20)10-12-9-13(19-18-12)15-17-6-7-23-15;1-15(2,25(21,22)10-3-6-23-7-4-10)14(20)19-11-9-17-12(18-11)13-16-5-8-24-13/h5-9,14-15,17H,10-13H2,1-4H3,(H,26,28);10-11,13H,6-9H2,1-5H3,(H,21,23);9,12H,5-8,10H2,1-4H3,(H,18,19,20);8,11H,6-7,9-10H2,1-5H3;7H,4-6,8-9H2,1-3H3;8,11H,4-7,9H2,1-3H3,(H,17,18,19);5,8,12H,3-4,6-7,9-10H2,1-2H3;6-7,11H,5,8-10H2,1-4H3;5,8,10H,3-4,6-7,9H2,1-2H3,(H,17,18,19,20)
InChIKeyJPZMLUMXWAKTDE-UHFFFAOYSA-N
MW3571.25 g/mol
LogP19.35
Rot. Bonds59

About 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one

1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one (PubChem CID 158989575) has the molecular formula C156H212F3N31O42S10 and a molecular weight of 3571.25 g/mol. Its IUPAC name is 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one.

Molecular Properties

Compound Name1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one
PubChem CID158989575
Molecular FormulaC156H212F3N31O42S10
Molecular Weight3571.25 g/mol
Exact Mass3568.26
IUPAC Name1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one
SMILESCC(C)(C(=O)CC1=NN=C(c2nccs2)C1)S(=O)(=O)C1CCOCC1.CC(C)(C(=O)NC1=NC(c2ncco2)=NC1)S(=O)(=O)C1CCOCC1.CC(C)(c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1)c1cnc(-c2ccccc2)o1.CC(C)CCS(=O)(=O)C(C)(C)C(=O)CC1=NN=C(c2ncco2)C1.Cc1cc(-c2n[nH]c(CC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)n2)n(C)n1.Cc1cc(-c2n[nH]c(CC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)n2)no1.Cc1cc(C2=NN=C(CC(=O)C(C)(C)S(=O)(=O)CCC(C)C)C2)no1.Cc1cc(C2=NN=C(CC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)C2)no1.Cc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)on2)o1
InChIInChI=1S/C24H29N3O6S.C19H27N3O6S.C17H25N5O4S.C17H25N3O4S.C16H20F3N3O4S.C16H22N4O5S.C16H21N3O4S2.C16H23N3O4S.C15H20N4O5S/c1-23(2,19-15-25-21(32-19)16-8-6-5-7-9-16)18-14-20(33-27-18)26-22(28)24(3,4)34(29,30)17-10-12-31-13-11-17;1-12-20-11-15(27-12)18(2,3)14-10-16(28-22-14)21-17(23)19(4,5)29(24,25)13-6-8-26-9-7-13;1-11-9-13(22(4)21-11)16-18-15(19-20-16)10-14(23)17(2,3)27(24,25)12-5-7-26-8-6-12;1-11(2)6-7-25(22,23)17(4,5)16(21)10-13-9-14(19-18-13)15-8-12(3)24-20-15;1-10-7-13(22-26-10)12-8-11(20-21-12)9-14(23)15(2,3)27(24,25)6-4-5-16(17,18)19;1-10-8-12(20-25-10)15-17-14(18-19-15)9-13(21)16(2,3)26(22,23)11-4-6-24-7-5-11;1-16(2,25(21,22)12-3-6-23-7-4-12)14(20)10-11-9-13(19-18-11)15-17-5-8-24-15;1-11(2)5-8-24(21,22)16(3,4)14(20)10-12-9-13(19-18-12)15-17-6-7-23-15;1-15(2,25(21,22)10-3-6-23-7-4-10)14(20)19-11-9-17-12(18-11)13-16-5-8-24-13/h5-9,14-15,17H,10-13H2,1-4H3,(H,26,28);10-11,13H,6-9H2,1-5H3,(H,21,23);9,12H,5-8,10H2,1-4H3,(H,18,19,20);8,11H,6-7,9-10H2,1-5H3;7H,4-6,8-9H2,1-3H3;8,11H,4-7,9H2,1-3H3,(H,17,18,19);5,8,12H,3-4,6-7,9-10H2,1-2H3;6-7,11H,5,8-10H2,1-4H3;5,8,10H,3-4,6-7,9H2,1-2H3,(H,17,18,19,20)
InChIKeyJPZMLUMXWAKTDE-UHFFFAOYSA-N
XLogP19.35
TPSA1024.08 Ų
H-Bond Donors5
H-Bond Acceptors69
Rotatable Bonds59
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003571.25
LogP ≤ 519.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1069

Analyze 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-cyclohexylsulfonyl-3-methyl-1-[5-(3-methyl-1,2-oxazol-5-yl)-4H-pyrazol-3-yl]butan-2-one;2-(4-fluorophenyl)sulfonyl-2-methyl-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(3-methyl-1,2-oxazol-5-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;2-methyl-N-[3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(4,4,4-trifluorobutylsulfonyl)propanamide;3-methyl-1-[3-[1-(2-methyl-1,3-oxazol-5-yl)cyclopentyl]-1,2-oxazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-1-[5-(3-methyl-1,2-oxazol-5-yl)-4H-pyrazol-3-yl]-3-[2-(oxan-4-yl)ethylsulfonyl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide
CID 160141820
CID 160228007
CID 160228007
2-(4,5-dihydroimidazol-1-yl)-6-(3,4-dihydropyrazol-2-yl)-3-(2,3-dihydropyrrol-1-yl)-5-[4-(furan-2-yl)-2-(1,2-oxazol-3-yl)-2-(1,3-oxazol-2-yl)-3-(1H-pyrrol-2-yl)-3-thiophen-2-ylpiperidin-1-yl]-6-imidazolidin-1-yl-4-[5-(1H-imidazol-2-yl)-4-(1,2,5-oxadiazol-3-yl)-3-(2H-pyran-2-yl)-5-(1H-pyrazol-3-yl)-2-pyridazin-3-yl-3-pyridin-2-yl-2-pyrimidin-2-yl-6-(1,2-thiazol-3-yl)-6-(1,3-thiazol-2-yl)piperazin-1-yl]-3-pyrazin-2-yl-5-pyrazolidin-1-yl-2-pyrrolidin-1-ylmorpholine
CID 141231315
2-[(2R)-butan-2-yl]sulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;N-[5-(3-tert-butyl-1-methylpyrazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide;N-[5-(3-tert-butyl-1,2-oxazol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methyl-2-(oxan-4-ylsulfonyl)propanamide;2-cyclopentylsulfonyl-2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-[[(3S)-oxolan-3-yl]methylsulfonyl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide
CID 157841318
CID 158271597
CID 158271597
4-tert-butyl-2-(furan-2-yl)-1,3-thiazole;5-tert-butyl-2-(furan-2-yl)-1,3-thiazole;2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole;5-(furan-2-yl)-3-propan-2-yl-1,2-oxazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;3-(furan-2-yl)-5-propan-2-ylpyridine;4-(furan-2-yl)-2-propan-2-ylpyridine;4-(furan-2-yl)-6-propan-2-ylpyrimidine;5-methyl-2-phenyl-4-propan-2-yl-1,3-oxazole;4-methyl-2-phenyl-5-propan-2-yl-1,3-thiazole;2-phenyl-4-propan-2-yl-1,3-thiazole;3-propan-2-yl-5-pyridin-4-ylpyridine
CID 159746143
CID 160459275
CID 160459275
CID 160965599
CID 160965599

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one?
The IUPAC name of 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one (CID 158989575) is 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one.
What is the SMILES notation for 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one?
The canonical SMILES for 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one is CC(C)(C(=O)CC1=NN=C(c2nccs2)C1)S(=O)(=O)C1CCOCC1.CC(C)(C(=O)NC1=NC(c2ncco2)=NC1)S(=O)(=O)C1CCOCC1.CC(C)(c1cc(NC(=O)C(C)(C)S(=O)(=O)C2CCOCC2)on1)c1cnc(-c2ccccc2)o1.CC(C)CCS(=O)(=O)C(C)(C)C(=O)CC1=NN=C(c2ncco2)C1.Cc1cc(-c2n[nH]c(CC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)n2)n(C)n1.Cc1cc(-c2n[nH]c(CC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)n2)no1.Cc1cc(C2=NN=C(CC(=O)C(C)(C)S(=O)(=O)CCC(C)C)C2)no1.Cc1cc(C2=NN=C(CC(=O)C(C)(C)S(=O)(=O)CCCC(F)(F)F)C2)no1.Cc1ncc(C(C)(C)c2cc(NC(=O)C(C)(C)S(=O)(=O)C3CCOCC3)on2)o1.
What is the InChIKey of 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one?
The InChIKey is JPZMLUMXWAKTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O6S.C19H27N3O6S.C17H25N5O4S.C17H25N3O4S.C16H20F3N3O4S.C16H22N4O5S.C16H21N3O4S2.C16H23N3O4S.C15H20N4O5S/c1-23(2,19-15-25-21(32-19)16-8-6-5-7-9-16)18-14-20(33-27-18)26-22(28)24(3,4)34(29,30)17-10-12-31-13-11-17;1-12-20-11-15(27-12)18(2,3)14-10-16(28-22-14)21-17(23)19(4,5)29(24,25)13-6-8-26-9-7-13;1-11-9-13(22(4)21-11)16-18-15(19-20-16)10-14(23)17(2,3)27(24,25)12-5-7-26-8-6-12;1-11(2)6-7-25(22,23)17(4,5)16(21)10-13-9-14(19-18-13)15-8-12(3)24-20-15;1-10-7-13(22-26-10)12-8-11(20-21-12)9-14(23)15(2,3)27(24,25)6-4-5-16(17,18)19;1-10-8-12(20-25-10)15-17-14(18-19-15)9-13(21)16(2,3)26(22,23)11-4-6-24-7-5-11;1-16(2,25(21,22)12-3-6-23-7-4-12)14(20)10-11-9-13(19-18-11)15-17-5-8-24-15;1-11(2)5-8-24(21,22)16(3,4)14(20)10-12-9-13(19-18-12)15-17-6-7-23-15;1-15(2,25(21,22)10-3-6-23-7-4-10)14(20)19-11-9-17-12(18-11)13-16-5-8-24-13/h5-9,14-15,17H,10-13H2,1-4H3,(H,26,28);10-11,13H,6-9H2,1-5H3,(H,21,23);9,12H,5-8,10H2,1-4H3,(H,18,19,20);8,11H,6-7,9-10H2,1-5H3;7H,4-6,8-9H2,1-3H3;8,11H,4-7,9H2,1-3H3,(H,17,18,19);5,8,12H,3-4,6-7,9-10H2,1-2H3;6-7,11H,5,8-10H2,1-4H3;5,8,10H,3-4,6-7,9H2,1-2H3,(H,17,18,19,20).
What are the key properties of 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one?
1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one has a molecular weight of 3571.25 g/mol, XLogP of 19.35, 59 rotatable bonds, 5 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethylpyrazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-methyl-3-(oxan-4-ylsulfonyl)butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]butan-2-one;3-methyl-3-(3-methylbutylsulfonyl)-1-[5-(1,3-oxazol-2-yl)-4H-pyrazol-3-yl]butan-2-one;2-methyl-N-[3-[2-(2-methyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]-2-(oxan-4-ylsulfonyl)propanamide;3-methyl-1-[5-(5-methyl-1,2-oxazol-3-yl)-4H-pyrazol-3-yl]-3-(4,4,4-trifluorobutylsulfonyl)butan-2-one;3-methyl-1-[3-(5-methyl-1,2-oxazol-3-yl)-1H-1,2,4-triazol-5-yl]-3-(oxan-4-ylsulfonyl)butan-2-one;2-methyl-2-(oxan-4-ylsulfonyl)-N-[2-(1,3-oxazol-2-yl)-4H-imidazol-5-yl]propanamide;2-methyl-2-(oxan-4-ylsulfonyl)-N-[3-[2-(2-phenyl-1,3-oxazol-5-yl)propan-2-yl]-1,2-oxazol-5-yl]propanamide;3-methyl-3-(oxan-4-ylsulfonyl)-1-[5-(1,3-thiazol-2-yl)-4H-pyrazol-3-yl]butan-2-one is sourced from PubChem (CID 158989575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).