2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C224H330Cl3F8N25O22S10 — CID 167640427

IUPAC2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(C2=NN=NC2)cc1F.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)c(F)c1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)(C)c1ccc(S(C)(=O)=O)nc1F.CC(C)(C)c1cnc(Cl)cn1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1cnc(S(C)(=O)=O)nc1.CC(C)(C)c1cncs1.CC(C)c1noc(N2CCC(C(C)OC(C)(C)C)CC2)n1.CCc1cnc(N2CCC(C(C)(C)C)CC2)nc1.CNS(=O)(=O)c1ccc(C(C)(C)C)c(F)c1.COc1cc(C(C)(C)C)ccn1.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1nc(S(C)(=O)=O)ccc1C(C)(C)C.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C16H29N3O2.C15H25N3.C12H14FN3.3C12H18O2S.C11H16FNO2S.2C11H15FO2S.C11H17NO2S.C10H12F3N.C10H14FNO2S.2C10H15NO.2C10H15N.C9H12ClN.C9H14N2O2S.2C8H11ClN2.C7H11NS/c1-11(2)14-17-15(21-18-14)19-9-7-13(8-10-19)12(3)20-16(4,5)6;1-5-12-10-16-14(17-11-12)18-8-6-13(7-9-18)15(2,3)4;1-12(2,3)9-5-4-8(6-10(9)13)11-7-14-16-15-11;3*1-9-8-10(15(5,13)14)6-7-11(9)12(2,3)4;1-11(2,3)9-6-5-8(7-10(9)12)16(14,15)13-4;1-11(2,3)8-5-6-10(9(12)7-8)15(4,13)14;1-11(2,3)9-6-5-8(7-10(9)12)15(4,13)14;1-8-9(11(2,3)4)6-7-10(12-8)15(5,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)7-5-6-8(12-9(7)11)15(4,13)14;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-11(4)9(12)7-8;2*1-8-7-11-6-5-9(8)10(2,3)4;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-10-8(11-6-7)14(4,12)13;1-8(2,3)6-4-11-7(9)5-10-6;1-8(2,3)6-4-10-7(9)11-5-6;1-7(2,3)6-4-8-5-9-6/h11-13H,7-10H2,1-6H3;10-11,13H,5-9H2,1-4H3;4-6H,7H2,1-3H3;3*6-8H,1-5H3;5-7,13H,1-4H3;2*5-7H,1-4H3;6-7H,1-5H3;4-6H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3;2*5-7H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;2*4-5H,1-3H3;4-5H,1-3H3
InChIKeyPCAHMLGUNYVESH-UHFFFAOYSA-N
MW4304.27 g/mol
LogP53.74
Rot. Bonds18

About 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 167640427) has the molecular formula C224H330Cl3F8N25O22S10 and a molecular weight of 4304.27 g/mol. Its IUPAC name is 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID167640427
Molecular FormulaC224H330Cl3F8N25O22S10
Molecular Weight4304.27 g/mol
Exact Mass4299.16
IUPAC Name2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(C2=NN=NC2)cc1F.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)c(F)c1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)(C)c1ccc(S(C)(=O)=O)nc1F.CC(C)(C)c1cnc(Cl)cn1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1cnc(S(C)(=O)=O)nc1.CC(C)(C)c1cncs1.CC(C)c1noc(N2CCC(C(C)OC(C)(C)C)CC2)n1.CCc1cnc(N2CCC(C(C)(C)C)CC2)nc1.CNS(=O)(=O)c1ccc(C(C)(C)C)c(F)c1.COc1cc(C(C)(C)C)ccn1.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1nc(S(C)(=O)=O)ccc1C(C)(C)C.Cn1ccc(C(C)(C)C)cc1=O
InChIInChI=1S/C16H29N3O2.C15H25N3.C12H14FN3.3C12H18O2S.C11H16FNO2S.2C11H15FO2S.C11H17NO2S.C10H12F3N.C10H14FNO2S.2C10H15NO.2C10H15N.C9H12ClN.C9H14N2O2S.2C8H11ClN2.C7H11NS/c1-11(2)14-17-15(21-18-14)19-9-7-13(8-10-19)12(3)20-16(4,5)6;1-5-12-10-16-14(17-11-12)18-8-6-13(7-9-18)15(2,3)4;1-12(2,3)9-5-4-8(6-10(9)13)11-7-14-16-15-11;3*1-9-8-10(15(5,13)14)6-7-11(9)12(2,3)4;1-11(2,3)9-6-5-8(7-10(9)12)16(14,15)13-4;1-11(2,3)8-5-6-10(9(12)7-8)15(4,13)14;1-11(2,3)9-6-5-8(7-10(9)12)15(4,13)14;1-8-9(11(2,3)4)6-7-10(12-8)15(5,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)7-5-6-8(12-9(7)11)15(4,13)14;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-11(4)9(12)7-8;2*1-8-7-11-6-5-9(8)10(2,3)4;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-10-8(11-6-7)14(4,12)13;1-8(2,3)6-4-11-7(9)5-10-6;1-8(2,3)6-4-10-7(9)11-5-6;1-7(2,3)6-4-8-5-9-6/h11-13H,7-10H2,1-6H3;10-11,13H,5-9H2,1-4H3;4-6H,7H2,1-3H3;3*6-8H,1-5H3;5-7,13H,1-4H3;2*5-7H,1-4H3;6-7H,1-5H3;4-6H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3;2*5-7H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;2*4-5H,1-3H3;4-5H,1-3H3
InChIKeyPCAHMLGUNYVESH-UHFFFAOYSA-N
XLogP53.74
TPSA648.47 Ų
H-Bond Donors1
H-Bond Acceptors47
Rotatable Bonds18
Heavy Atoms292
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004304.27
LogP ≤ 553.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1047

Analyze 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;2-(4-tert-butylcyclohexyl)-5-ethylpyrimidine;4-tert-butyl-N,N-dimethylpiperidine-1-carboxamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-N-(2-methoxyethyl)benzamide;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine;2-fluoro-4-propan-2-ylpyridine;4-propan-2-ylbenzonitrile
CID 159613797
4-Tert-butylbenzonitrile;2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;4-tert-butyl-2-fluoropyridine;4-tert-butyl-3-fluoropyridine;4-tert-butyl-2-methoxypyridine;4-tert-butyl-1-methoxypyridin-1-ium;bis(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyridine;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;4-tert-butylpyridine;5-tert-butyl-2-(trifluoromethyl)pyridine
CID 167558457

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 167640427) is 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)(C)c1ccc(C(F)(F)F)nc1.CC(C)(C)c1ccc(C2=NN=NC2)cc1F.CC(C)(C)c1ccc(Cl)nc1.CC(C)(C)c1ccc(S(C)(=O)=O)c(F)c1.CC(C)(C)c1ccc(S(C)(=O)=O)cc1F.CC(C)(C)c1ccc(S(C)(=O)=O)nc1F.CC(C)(C)c1cnc(Cl)cn1.CC(C)(C)c1cnc(Cl)nc1.CC(C)(C)c1cnc(S(C)(=O)=O)nc1.CC(C)(C)c1cncs1.CC(C)c1noc(N2CCC(C(C)OC(C)(C)C)CC2)n1.CCc1cnc(N2CCC(C(C)(C)C)CC2)nc1.CNS(=O)(=O)c1ccc(C(C)(C)C)c(F)c1.COc1cc(C(C)(C)C)ccn1.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cc(S(C)(=O)=O)ccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1cnccc1C(C)(C)C.Cc1nc(S(C)(=O)=O)ccc1C(C)(C)C.Cn1ccc(C(C)(C)C)cc1=O.
What is the InChIKey of 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is PCAHMLGUNYVESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.C15H25N3.C12H14FN3.3C12H18O2S.C11H16FNO2S.2C11H15FO2S.C11H17NO2S.C10H12F3N.C10H14FNO2S.2C10H15NO.2C10H15N.C9H12ClN.C9H14N2O2S.2C8H11ClN2.C7H11NS/c1-11(2)14-17-15(21-18-14)19-9-7-13(8-10-19)12(3)20-16(4,5)6;1-5-12-10-16-14(17-11-12)18-8-6-13(7-9-18)15(2,3)4;1-12(2,3)9-5-4-8(6-10(9)13)11-7-14-16-15-11;3*1-9-8-10(15(5,13)14)6-7-11(9)12(2,3)4;1-11(2,3)9-6-5-8(7-10(9)12)16(14,15)13-4;1-11(2,3)8-5-6-10(9(12)7-8)15(4,13)14;1-11(2,3)9-6-5-8(7-10(9)12)15(4,13)14;1-8-9(11(2,3)4)6-7-10(12-8)15(5,13)14;1-9(2,3)7-4-5-8(14-6-7)10(11,12)13;1-10(2,3)7-5-6-8(12-9(7)11)15(4,13)14;1-10(2,3)8-5-6-11-9(7-8)12-4;1-10(2,3)8-5-6-11(4)9(12)7-8;2*1-8-7-11-6-5-9(8)10(2,3)4;1-9(2,3)7-4-5-8(10)11-6-7;1-9(2,3)7-5-10-8(11-6-7)14(4,12)13;1-8(2,3)6-4-11-7(9)5-10-6;1-8(2,3)6-4-10-7(9)11-5-6;1-7(2,3)6-4-8-5-9-6/h11-13H,7-10H2,1-6H3;10-11,13H,5-9H2,1-4H3;4-6H,7H2,1-3H3;3*6-8H,1-5H3;5-7,13H,1-4H3;2*5-7H,1-4H3;6-7H,1-5H3;4-6H,1-3H3;5-6H,1-4H3;2*5-7H,1-4H3;2*5-7H,1-4H3;4-6H,1-3H3;5-6H,1-4H3;2*4-5H,1-3H3;4-5H,1-3H3.
What are the key properties of 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 4304.27 g/mol, XLogP of 53.74, 18 rotatable bonds, 1 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloropyrazine;5-tert-butyl-2-chloropyridine;5-tert-butyl-2-chloropyrimidine;4-tert-butyl-3-fluoro-N-methylbenzenesulfonamide;1-tert-butyl-2-fluoro-4-methylsulfonylbenzene;4-tert-butyl-2-fluoro-1-methylsulfonylbenzene;3-tert-butyl-2-fluoro-6-methylsulfonylpyridine;5-(4-tert-butyl-3-fluorophenyl)-4H-triazole;4-tert-butyl-2-methoxypyridine;tris(1-tert-butyl-2-methyl-4-methylsulfonylbenzene);3-tert-butyl-2-methyl-6-methylsulfonylpyridine;bis(4-tert-butyl-3-methylpyridine);4-tert-butyl-1-methylpyridin-2-one;5-tert-butyl-2-methylsulfonylpyrimidine;2-(4-tert-butylpiperidin-1-yl)-5-ethylpyrimidine;5-tert-butyl-1,3-thiazole;5-tert-butyl-2-(trifluoromethyl)pyridine;5-[4-[1-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167640427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).