tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

C299H486N80O9S2 — CID 162279236

IUPACtert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnoc12.CC(C)(C)c1cccc2nccn12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn2c1COCC2.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CC(C)(C)n1cc2c(n1)CNC2.CC(C)(C)n1cccn1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnn1.CC(C)(C)n1ncc2c1CNC2.CC(C)(C)n1nccn1.CC(C)(C)n1ncnn1
InChIInChI=1S/3C11H14N2.C11H13NO.C10H13N3.C10H16N2O.C10H14.2C9H15N3.C9H19N.2C9H13N.C8H18N2.3C8H12N2.C8H17NO.6C7H12N2.4C7H11NO.C7H11NS.5C6H11N3.2C6H10N2O.C6H10N2S.3C5H10N4/c1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-11(2,3)9-5-4-6-10-12-7-8-13(9)10;2*1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-10(2,3)8-6-11-12-4-5-13-7-9(8)12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)12-6-7-4-10-5-8(7)11-12;1-9(2,3)12-8-6-10-4-7(8)5-11-12;2*1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-4-6-10-7-5-9;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-5(2,3)9-4-6-7-8-9;1-5(2,3)9-7-4-6-8-9;1-5(2,3)4-6-8-9-7-4/h2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;6H,4-5,7H2,1-3H3;4-8H,1-3H3;6,10H,4-5H2,1-3H3;5,10H,4,6H2,1-3H3;8,10H,4-7H2,1-3H3;2*4-7H,1-3H3;9H,4-7H2,1-3H3;3*4-6H,1-3H3;4-7H2,1-3H3;4*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);2*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);5*4H,1-3H3;1-3H3,(H,6,7,8,9)
InChIKeyXZRNUYSVEOLGAW-UHFFFAOYSA-N
MW5409.86 g/mol
LogP66.10
Rot. Bonds

About tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 162279236) has the molecular formula C299H486N80O9S2 and a molecular weight of 5409.86 g/mol. Its IUPAC name is tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Nametert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID162279236
Molecular FormulaC299H486N80O9S2
Molecular Weight5409.86 g/mol
Exact Mass5405.95
IUPAC Nametert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnoc12.CC(C)(C)c1cccc2nccn12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn2c1COCC2.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CC(C)(C)n1cc2c(n1)CNC2.CC(C)(C)n1cccn1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnn1.CC(C)(C)n1ncc2c1CNC2.CC(C)(C)n1nccn1.CC(C)(C)n1ncnn1
InChIInChI=1S/3C11H14N2.C11H13NO.C10H13N3.C10H16N2O.C10H14.2C9H15N3.C9H19N.2C9H13N.C8H18N2.3C8H12N2.C8H17NO.6C7H12N2.4C7H11NO.C7H11NS.5C6H11N3.2C6H10N2O.C6H10N2S.3C5H10N4/c1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-11(2,3)9-5-4-6-10-12-7-8-13(9)10;2*1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-10(2,3)8-6-11-12-4-5-13-7-9(8)12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)12-6-7-4-10-5-8(7)11-12;1-9(2,3)12-8-6-10-4-7(8)5-11-12;2*1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-4-6-10-7-5-9;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-5(2,3)9-4-6-7-8-9;1-5(2,3)9-7-4-6-8-9;1-5(2,3)4-6-8-9-7-4/h2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;6H,4-5,7H2,1-3H3;4-8H,1-3H3;6,10H,4-5H2,1-3H3;5,10H,4,6H2,1-3H3;8,10H,4-7H2,1-3H3;2*4-7H,1-3H3;9H,4-7H2,1-3H3;3*4-6H,1-3H3;4-7H2,1-3H3;4*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);2*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);5*4H,1-3H3;1-3H3,(H,6,7,8,9)
InChIKeyXZRNUYSVEOLGAW-UHFFFAOYSA-N
XLogP66.10
TPSA1047.92 Ų
H-Bond Donors13
H-Bond Acceptors82
Rotatable Bonds
Heavy Atoms390
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005409.86
LogP ≤ 566.10
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1082

Analyze tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (CID 162279236) is tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)C1CCNCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1cccc2cnoc12.CC(C)(C)c1cccc2nccn12.CC(C)(C)c1cccc2ncnn12.CC(C)(C)c1ccccc1.CC(C)(C)c1cccn2ccnc12.CC(C)(C)c1cccnc1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ccncc1.CC(C)(C)c1ccncn1.CC(C)(C)c1ccon1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cn[nH]n1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnccn1.CC(C)(C)c1cnn2c1COCC2.CC(C)(C)c1cnoc1.CC(C)(C)c1cocn1.CC(C)(C)c1cscn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncn[nH]1.CC(C)(C)c1ncon1.CC(C)(C)c1nn[nH]n1.CC(C)(C)c1nnco1.CC(C)(C)c1nncs1.CC(C)(C)n1cc2c(n1)CNC2.CC(C)(C)n1cccn1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnn1.CC(C)(C)n1ncc2c1CNC2.CC(C)(C)n1nccn1.CC(C)(C)n1ncnn1.
What is the InChIKey of tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is XZRNUYSVEOLGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H14N2.C11H13NO.C10H13N3.C10H16N2O.C10H14.2C9H15N3.C9H19N.2C9H13N.C8H18N2.3C8H12N2.C8H17NO.6C7H12N2.4C7H11NO.C7H11NS.5C6H11N3.2C6H10N2O.C6H10N2S.3C5H10N4/c1-11(2,3)9-5-4-7-13-8-6-12-10(9)13;1-11(2,3)9-5-4-6-10-12-7-8-13(9)10;2*1-11(2,3)9-6-4-5-8-7-12-13-10(8)9;1-10(2,3)8-5-4-6-9-11-7-12-13(8)9;1-10(2,3)8-6-11-12-4-5-13-7-9(8)12;1-10(2,3)9-7-5-4-6-8-9;1-9(2,3)12-6-7-4-10-5-8(7)11-12;1-9(2,3)12-8-6-10-4-7(8)5-11-12;2*1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-4-6-10-7-5-9;2*1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-9-8-6;1-7(2,3)6-4-9-5-8-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-6(2,3)5-4-7-9-8-5;1-6(2,3)5-8-7-4-9-5;1-6(2,3)5-7-4-9-8-5;1-6(2,3)5-8-7-4-9-5;1-5(2,3)9-4-6-7-8-9;1-5(2,3)9-7-4-6-8-9;1-5(2,3)4-6-8-9-7-4/h2*4-8H,1-3H3;4-7H,1-3H3,(H,12,13);2*4-7H,1-3H3;6H,4-5,7H2,1-3H3;4-8H,1-3H3;6,10H,4-5H2,1-3H3;5,10H,4,6H2,1-3H3;8,10H,4-7H2,1-3H3;2*4-7H,1-3H3;9H,4-7H2,1-3H3;3*4-6H,1-3H3;4-7H2,1-3H3;4*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);2*4-5H,1-3H3;4H,1-3H3,(H,7,8,9);5*4H,1-3H3;1-3H3,(H,6,7,8,9).
What are the key properties of tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 5409.86 g/mol, XLogP of 66.10, 0 rotatable bonds, 13 hydrogen bond donors, and 82 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylbenzene;7-tert-butyl-1,2-benzoxazole;3-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;1-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole;5-tert-butylimidazo[1,2-a]pyridine;8-tert-butylimidazo[1,2-a]pyridine;2-tert-butyl-1H-imidazole;bis(5-tert-butyl-1H-imidazole);7-tert-butyl-1H-indazole;4-tert-butylmorpholine;2-tert-butyl-1,3,4-oxadiazole;3-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;1-tert-butylpiperazine;4-tert-butylpiperidine;2-tert-butylpyrazine;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butyltetrazole;2-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,4-thiadiazole;4-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 162279236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).