4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate

C257H389ClF15N31O13S9 — CID 158535132

IUPAC4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate
SMILESCC(C)(C)C1=N[C@@H](C(F)(F)F)CO1.CC(C)(C)C1=N[C@@H](C(F)(F)F)CS1.CC(C)(C)C1=N[C@H](C(F)(F)F)CO1.CC(C)(C)C1=N[C@H](C(F)(F)F)CS1.CC(C)(C)C1=N[C@H](c2ccccc2)CO1.CC(C)(C)C1=N[C@H](c2ccccc2)CS1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cncs1.CC(C)(C)Cc1nccs1.CC(C)(C)c1ccnc(Cl)n1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(-c2ccccc2)s1.CC(C)(C)c1n[nH]c(C2CC2)n1.CC(C)(C)c1nc(-c2ccccc2)co1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1nc(C(F)(F)F)co1.CC(C)(C)c1nnc(C2CC2)o1.CC(C)c1coc(C(C)(C)C)n1.CCOC(=O)c1ncc(C(C)(C)C)s1.COc1nccc(C(C)(C)C)n1.C[C@@H]1CSC(C(C)(C)C)=N1.C[C@H]1CSC(C(C)(C)C)=N1.Cc1cc(C(C)(C)C)no1.Cc1ccccc1CC(C)(C)C.Cc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C13H17NO.C13H15NO.C13H15NS.C13H17NS.C12H14N2O.C12H18.C11H16.C10H15NO2S.C10H17NO.C10H20.C9H15N3.2C9H14N2O.C9H13N.C9H18O.C8H11ClN2.2C8H12F3NO.C8H10F3NO.2C8H12F3NS.C8H13NO.C8H13NS.2C8H15NS.C8H13NS.C7H13N3/c2*1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-13(2,3)11-9-14-12(15-11)10-7-5-4-6-8-10;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-10-7-5-6-8-11(10)9-12(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-5-13-9(12)8-11-6-7(14-8)10(2,3)4;1-7(2)8-6-12-9(11-8)10(3,4)5;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-9(2,3)8-11-10-7(12-8)6-4-5-6;1-9(2,3)7-5-6-10-8(11-7)12-4;2*1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)6-4-5-10-7(9)11-6;5*1-7(2,3)6-12-5(4-13-6)8(9,10)11;1-6-5-7(9-10-6)8(2,3)4;1-8(2,3)4-7-5-9-6-10-7;2*1-6-5-10-7(9-6)8(2,3)4;1-8(2,3)6-7-9-4-5-10-7;1-5-8-6(10-9-5)7(2,3)4/h4-8,11H,9H2,1-3H3;2*4-9H,1-3H3;4-8,11H,9H2,1-3H3;4-8H,1-3H3;5-8H,9H2,1-4H3;4-8H,9H2,1-3H3;6H,5H2,1-4H3;6-7H,1-5H3;9H,4-8H2,1-3H3;6H,4-5H2,1-3H3,(H,10,11,12);6H,4-5H2,1-3H3;5-6H,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;4-5H,1-3H3;2*5H,4H2,1-3H3;4H,1-3H3;2*5H,4H2,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;2*6H,5H2,1-4H3;4-5H,6H2,1-3H3;1-4H3,(H,8,9,10)/t11-;;;11-;;;;;;;;;;;;;2*5-;;2*5-;;;2*6-;;/m0..0............10.10..10../s1
InChIKeyHNVRXPFEDZPZGU-VRJCRLENSA-N
MW4730.17 g/mol
LogP75.64
Rot. Bonds15

About 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate

4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate (PubChem CID 158535132) has the molecular formula C257H389ClF15N31O13S9 and a molecular weight of 4730.17 g/mol. Its IUPAC name is 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate.

Molecular Properties

Compound Name4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate
PubChem CID158535132
Molecular FormulaC257H389ClF15N31O13S9
Molecular Weight4730.17 g/mol
Exact Mass4725.77
IUPAC Name4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate
SMILESCC(C)(C)C1=N[C@@H](C(F)(F)F)CO1.CC(C)(C)C1=N[C@@H](C(F)(F)F)CS1.CC(C)(C)C1=N[C@H](C(F)(F)F)CO1.CC(C)(C)C1=N[C@H](C(F)(F)F)CS1.CC(C)(C)C1=N[C@H](c2ccccc2)CO1.CC(C)(C)C1=N[C@H](c2ccccc2)CS1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cncs1.CC(C)(C)Cc1nccs1.CC(C)(C)c1ccnc(Cl)n1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(-c2ccccc2)s1.CC(C)(C)c1n[nH]c(C2CC2)n1.CC(C)(C)c1nc(-c2ccccc2)co1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1nc(C(F)(F)F)co1.CC(C)(C)c1nnc(C2CC2)o1.CC(C)c1coc(C(C)(C)C)n1.CCOC(=O)c1ncc(C(C)(C)C)s1.COc1nccc(C(C)(C)C)n1.C[C@@H]1CSC(C(C)(C)C)=N1.C[C@H]1CSC(C(C)(C)C)=N1.Cc1cc(C(C)(C)C)no1.Cc1ccccc1CC(C)(C)C.Cc1nc(C(C)(C)C)n[nH]1
InChIInChI=1S/C13H17NO.C13H15NO.C13H15NS.C13H17NS.C12H14N2O.C12H18.C11H16.C10H15NO2S.C10H17NO.C10H20.C9H15N3.2C9H14N2O.C9H13N.C9H18O.C8H11ClN2.2C8H12F3NO.C8H10F3NO.2C8H12F3NS.C8H13NO.C8H13NS.2C8H15NS.C8H13NS.C7H13N3/c2*1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-13(2,3)11-9-14-12(15-11)10-7-5-4-6-8-10;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-10-7-5-6-8-11(10)9-12(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-5-13-9(12)8-11-6-7(14-8)10(2,3)4;1-7(2)8-6-12-9(11-8)10(3,4)5;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-9(2,3)8-11-10-7(12-8)6-4-5-6;1-9(2,3)7-5-6-10-8(11-7)12-4;2*1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)6-4-5-10-7(9)11-6;5*1-7(2,3)6-12-5(4-13-6)8(9,10)11;1-6-5-7(9-10-6)8(2,3)4;1-8(2,3)4-7-5-9-6-10-7;2*1-6-5-10-7(9-6)8(2,3)4;1-8(2,3)6-7-9-4-5-10-7;1-5-8-6(10-9-5)7(2,3)4/h4-8,11H,9H2,1-3H3;2*4-9H,1-3H3;4-8,11H,9H2,1-3H3;4-8H,1-3H3;5-8H,9H2,1-4H3;4-8H,9H2,1-3H3;6H,5H2,1-4H3;6-7H,1-5H3;9H,4-8H2,1-3H3;6H,4-5H2,1-3H3,(H,10,11,12);6H,4-5H2,1-3H3;5-6H,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;4-5H,1-3H3;2*5H,4H2,1-3H3;4H,1-3H3;2*5H,4H2,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;2*6H,5H2,1-4H3;4-5H,6H2,1-3H3;1-4H3,(H,8,9,10)/t11-;;;11-;;;;;;;;;;;;;2*5-;;2*5-;;;2*6-;;/m0..0............10.10..10../s1
InChIKeyHNVRXPFEDZPZGU-VRJCRLENSA-N
XLogP75.64
TPSA552.44 Ų
H-Bond Donors2
H-Bond Acceptors51
Rotatable Bonds15
Heavy Atoms326
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004730.17
LogP ≤ 575.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1051

Analyze 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate with MolForge

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What is the IUPAC name of 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate?
The IUPAC name of 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate (CID 158535132) is 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate.
What is the SMILES notation for 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate?
The canonical SMILES for 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate is CC(C)(C)C1=N[C@@H](C(F)(F)F)CO1.CC(C)(C)C1=N[C@@H](C(F)(F)F)CS1.CC(C)(C)C1=N[C@H](C(F)(F)F)CO1.CC(C)(C)C1=N[C@H](C(F)(F)F)CS1.CC(C)(C)C1=N[C@H](c2ccccc2)CO1.CC(C)(C)C1=N[C@H](c2ccccc2)CS1.CC(C)(C)C1CCCCC1.CC(C)(C)C1CCOCC1.CC(C)(C)Cc1ccccc1.CC(C)(C)Cc1cncs1.CC(C)(C)Cc1nccs1.CC(C)(C)c1ccnc(Cl)n1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc(-c2ccccc2)s1.CC(C)(C)c1n[nH]c(C2CC2)n1.CC(C)(C)c1nc(-c2ccccc2)co1.CC(C)(C)c1nc(-c2ccccc2)no1.CC(C)(C)c1nc(C(F)(F)F)co1.CC(C)(C)c1nnc(C2CC2)o1.CC(C)c1coc(C(C)(C)C)n1.CCOC(=O)c1ncc(C(C)(C)C)s1.COc1nccc(C(C)(C)C)n1.C[C@@H]1CSC(C(C)(C)C)=N1.C[C@H]1CSC(C(C)(C)C)=N1.Cc1cc(C(C)(C)C)no1.Cc1ccccc1CC(C)(C)C.Cc1nc(C(C)(C)C)n[nH]1.
What is the InChIKey of 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate?
The InChIKey is HNVRXPFEDZPZGU-VRJCRLENSA-N. The full InChI is InChI=1S/C13H17NO.C13H15NO.C13H15NS.C13H17NS.C12H14N2O.C12H18.C11H16.C10H15NO2S.C10H17NO.C10H20.C9H15N3.2C9H14N2O.C9H13N.C9H18O.C8H11ClN2.2C8H12F3NO.C8H10F3NO.2C8H12F3NS.C8H13NO.C8H13NS.2C8H15NS.C8H13NS.C7H13N3/c2*1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-13(2,3)11-9-14-12(15-11)10-7-5-4-6-8-10;1-13(2,3)12-14-11(9-15-12)10-7-5-4-6-8-10;1-12(2,3)11-13-10(14-15-11)9-7-5-4-6-8-9;1-10-7-5-6-8-11(10)9-12(2,3)4;1-11(2,3)9-10-7-5-4-6-8-10;1-5-13-9(12)8-11-6-7(14-8)10(2,3)4;1-7(2)8-6-12-9(11-8)10(3,4)5;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-9(2,3)8-11-10-7(12-8)6-4-5-6;1-9(2,3)7-5-6-10-8(11-7)12-4;2*1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)6-4-5-10-7(9)11-6;5*1-7(2,3)6-12-5(4-13-6)8(9,10)11;1-6-5-7(9-10-6)8(2,3)4;1-8(2,3)4-7-5-9-6-10-7;2*1-6-5-10-7(9-6)8(2,3)4;1-8(2,3)6-7-9-4-5-10-7;1-5-8-6(10-9-5)7(2,3)4/h4-8,11H,9H2,1-3H3;2*4-9H,1-3H3;4-8,11H,9H2,1-3H3;4-8H,1-3H3;5-8H,9H2,1-4H3;4-8H,9H2,1-3H3;6H,5H2,1-4H3;6-7H,1-5H3;9H,4-8H2,1-3H3;6H,4-5H2,1-3H3,(H,10,11,12);6H,4-5H2,1-3H3;5-6H,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;4-5H,1-3H3;2*5H,4H2,1-3H3;4H,1-3H3;2*5H,4H2,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;2*6H,5H2,1-4H3;4-5H,6H2,1-3H3;1-4H3,(H,8,9,10)/t11-;;;11-;;;;;;;;;;;;;2*5-;;2*5-;;;2*6-;;/m0..0............10.10..10../s1.
What are the key properties of 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate?
4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate has a molecular weight of 4730.17 g/mol, XLogP of 75.64, 15 rotatable bonds, 2 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-chloropyrimidine;tert-butylcyclohexane;2-tert-butyl-5-cyclopropyl-1,3,4-oxadiazole;3-tert-butyl-5-cyclopropyl-1H-1,2,4-triazole;4-tert-butyl-2-methoxypyrimidine;(4S)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;(4R)-2-tert-butyl-4-methyl-4,5-dihydro-1,3-thiazole;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyloxane;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-phenyl-4,5-dihydro-1,3-thiazole;5-tert-butyl-3-phenyl-1,2,4-oxadiazole;2-tert-butyl-4-phenyl-1,3-oxazole;5-tert-butyl-2-phenyl-1,3-thiazole;2-tert-butyl-4-propan-2-yl-1,3-oxazole;4-tert-butylpyridine;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazole;(4R)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;(4S)-2-tert-butyl-4-(trifluoromethyl)-4,5-dihydro-1,3-thiazole;2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole;2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-2-methylbenzene;2-(2,2-dimethylpropyl)-1,3-thiazole;5-(2,2-dimethylpropyl)-1,3-thiazole;ethyl 5-tert-butyl-1,3-thiazole-2-carboxylate is sourced from PubChem (CID 158535132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).