1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C175H238N30O7S4 — CID 161406414

IUPAC1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1nc2nccnc2s1.CC(C)(C)c1nc2ocnc2o1.CC(C)(C)c1nc2ocnc2s1.CC(C)(C)c1noc2ccccc12.CC(C)(C)c1nsc2ccccc12.CC(C)(C)c1occ2ccccc12.CC(C)(C)c1scc2ccccc12.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1nnc2ccccc21.CN1CCn2cccc2C1=O.CN1CCn2nccc2C1=O.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc(C(C)(C)C)c2ccncc21.Cn1nc(C(C)(C)C)c2cnccc21.c1cc2n(n1)CCCC2
InChIInChI=1S/C12H16N2.C12H15N.C12H14O.C12H14S.2C11H15N3.C11H14N2.C11H13NO.C11H13NS.C10H13N3.C9H11N3S.C8H10N2O2.C8H10N2OS.C8H10N2O.C7H9N3O.C7H10N2.3C5H12/c1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-11(2,3)10-8-7-12-6-5-9(8)14(4)13-10;1-11(2,3)10-8-5-6-12-7-9(8)14(4)13-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;2*1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-10(2,3)13-9-7-5-4-6-8(9)11-12-13;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-8(2,3)7-10-6-5(12-7)9-4-11-6;1-8(2,3)7-10-5-6(12-7)9-4-11-5;1-9-5-6-10-4-2-3-7(10)8(9)11;1-9-4-5-10-6(7(9)11)2-3-8-10;1-2-6-9-7(3-1)4-5-8-9;3*1-5(2,3)4/h5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;2-4H,5-6H2,1H3;2-3H,4-5H2,1H3;4-5H,1-3,6H2;3*1-4H3
InChIKeyVUXACCQOVHVVLN-UHFFFAOYSA-N
MW3002.30 g/mol
LogP45.49
Rot. Bonds

About 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 161406414) has the molecular formula C175H238N30O7S4 and a molecular weight of 3002.30 g/mol. Its IUPAC name is 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID161406414
Molecular FormulaC175H238N30O7S4
Molecular Weight3002.30 g/mol
Exact Mass2999.81
IUPAC Name1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1nc2nccnc2s1.CC(C)(C)c1nc2ocnc2o1.CC(C)(C)c1nc2ocnc2s1.CC(C)(C)c1noc2ccccc12.CC(C)(C)c1nsc2ccccc12.CC(C)(C)c1occ2ccccc12.CC(C)(C)c1scc2ccccc12.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1nnc2ccccc21.CN1CCn2cccc2C1=O.CN1CCn2nccc2C1=O.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc(C(C)(C)C)c2ccncc21.Cn1nc(C(C)(C)C)c2cnccc21.c1cc2n(n1)CCCC2
InChIInChI=1S/C12H16N2.C12H15N.C12H14O.C12H14S.2C11H15N3.C11H14N2.C11H13NO.C11H13NS.C10H13N3.C9H11N3S.C8H10N2O2.C8H10N2OS.C8H10N2O.C7H9N3O.C7H10N2.3C5H12/c1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-11(2,3)10-8-7-12-6-5-9(8)14(4)13-10;1-11(2,3)10-8-5-6-12-7-9(8)14(4)13-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;2*1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-10(2,3)13-9-7-5-4-6-8(9)11-12-13;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-8(2,3)7-10-6-5(12-7)9-4-11-6;1-8(2,3)7-10-5-6(12-7)9-4-11-5;1-9-5-6-10-4-2-3-7(10)8(9)11;1-9-4-5-10-6(7(9)11)2-3-8-10;1-2-6-9-7(3-1)4-5-8-9;3*1-5(2,3)4/h5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;2-4H,5-6H2,1H3;2-3H,4-5H2,1H3;4-5H,1-3,6H2;3*1-4H3
InChIKeyVUXACCQOVHVVLN-UHFFFAOYSA-N
XLogP45.49
TPSA406.46 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds
Heavy Atoms216
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003002.30
LogP ≤ 545.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;6-tert-butyl-5H-cyclopenta[c]pyridine;2-tert-butylfuro[3,2-c]pyridine;5-tert-butylfuro[3,4-d]pyrimidine;2-tert-butylindazole;3-tert-butyl-2H-indazole;6-tert-butylpyrrolo[3,4-d]pyrimidine;2-tert-butylthieno[3,2-c]pyridine;3-tert-butylthieno[3,4-c]pyridine;5-tert-butylthieno[3,4-d]pyrimidine
CID 160640029
1-tert-butyl-2-benzofuran;3-tert-butyl-1-benzofuran;3-tert-butyl-1,2-benzothiazole;3-tert-butyl-2,1-benzothiazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2,1-benzoxazole;1-tert-butylindolizine;3-tert-butyl-1-methylindazole;3-tert-butyl-2-methylindazole;3-tert-butyl-1-methylindole;1-tert-butyl-2-methylisoindole
CID 158741376
6-tert-butyl-5H-cyclopenta[c]pyridazine;5-tert-butylfuro[3,4-b]pyrazine;6-tert-butylfuro[2,3-b]pyrazine;3-tert-butyl-[1,2]oxazolo[3,4-c]pyridine;3-tert-butyl-[1,2]oxazolo[4,3-c]pyridine;3-tert-butyl-[1,2]oxazolo[5,4-c]pyridine;2-tert-butylpyrazolo[4,3-c]pyridine;bis(3-tert-butyl-2H-pyrazolo[3,4-c]pyridine);6-tert-butylpyrrolo[3,4-b]pyrazine;3-tert-butyl-[1,2]thiazolo[3,4-c]pyridine;3-tert-butyl-[1,2]thiazolo[4,3-c]pyridine;3-tert-butyl-[1,2]thiazolo[5,4-c]pyridine;5-tert-butylthieno[3,4-b]pyrazine;6-tert-butylthieno[2,3-b]pyrazine;6-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine
CID 161144609
3-tert-butyl-1,2-benzoxazole;2-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2,3-dihydro-1H-indole;3-tert-butyl-2H-indazole;2-tert-butylisoindole;3-tert-butyl-1H-isoindole;2-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-propan-2-yl-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 161380731
2-[2-(1,2-benzothiazol-3-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-[2-(1,2-benzoxazol-3-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-[2-(2H-indazol-3-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-[2-(3H-indol-2-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-[2-(1-methylindazol-3-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-[2-(1,3-thiazol-5-yl)ethyl]pyridazin-3-one
CID 159411710
2-tert-butyl-1H-benzimidazole;2-tert-butyl-1-benzothiophene;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 162006352
1-propan-2-ylbenzimidazole;3-propan-2-yl-1H-benzimidazol-2-one;3-propan-2-yl-1-benzofuran;3-propan-2-yl-1-benzothiophene;1-propan-2-ylbenzotriazole;1-propan-2-yl-2,3-dihydroindole;4-propan-2-yl-2,3-dihydro-1H-indole;3-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylindazole;3-propan-2-yl-2H-indazole;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;1-propan-2-ylindole;3-propan-2-yl-1H-indole;4-propan-2-yl-1H-indole;7-propan-2-yl-1H-indole;1-propan-2-ylpyrrolo[2,3-b]pyridine;1-propan-2-ylpyrrolo[3,2-b]pyridine;1-propan-2-ylpyrrolo[2,3-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine
CID 162246574
1,3-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,2-a]pyrimidine;1H-indazole;1H-indene;indolizine;isoquinoline;docosakis(2-methylpropane);naphthalene;1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
CID 165021414
8-tert-butyl-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;2-tert-butylimidazo[1,2-a]pyridine;3-tert-butyl-2H-indazole;3-tert-butyl-1H-indole;3-tert-butyl-4-methyl-1,2,5-oxadiazole;3-tert-butyl-4-methyl-1,2,5-thiadiazole;1-tert-butylnaphthalene;3,5-ditert-butyl-1H-pyridazin-6-one;methane
CID 160505640
tert-butylbenzene;2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;3-tert-butyl-1,2-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butyl-6,7-dihydro-4H-pyrano[3,4-d][1,3]thiazole;2-tert-butyl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazo[4,5-b]pyridine;bis(5-tert-butyl-1H-imidazole);4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;bis(2-tert-butylpyrazolo[1,5-a]pyridine);3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 158043073
1,2-dimethylimidazole;bis(2-methyl-1H-benzimidazole);2-methyl-1-benzofuran;3-methyl-1-benzofuran;2-methyl-1,3-benzothiazole;2-methyl-1-benzothiophene;3-methyl-1-benzothiophene;2-methyl-1,3-benzoxazole;bis(1-methylimidazole);2-methyl-1H-indole;3-methyl-1H-indole;3-methylisoquinoline;5-methylisoquinoline;3-methylpyrazino[2,3-b]pyrazine;1-methylpyrazole;4-methyl-2H-pyrrole;2-methylquinazoline;2-methylquinoline;bis(3-methylquinoline);4-methylquinoline;5-methylquinoline;2-methylquinoxaline;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;2-methylthiophene;2-methylthiophene 1-oxide;3-methylthiophene 1-oxide
CID 161462035
5-tert-butyl-1,3-benzothiazole;2-tert-butyl-1-benzothiophene;tert-butylcyclohexane;5-tert-butyl-2,3-dihydro-1H-benzimidazole;5-tert-butyl-2,3-dihydro-1-benzofuran;5-tert-butyl-1H-indole;5-tert-butylindolizine;5-tert-butylisoquinoline;2-tert-butylpyrimidine;4-tert-butylpyrimidine;6-tert-butylquinoxaline;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;2-tert-butyl-[1,3]thiazolo[4,5-b]pyridine;2-tert-butyl-[1,3]thiazolo[4,5-c]pyridine;2-tert-butylthieno[2,3-b]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;4-methylpyridazine;2-methyl-[1,3]thiazolo[5,4-c]pyridine
CID 162020169

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 161406414) is 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1nc2nccnc2s1.CC(C)(C)c1nc2ocnc2o1.CC(C)(C)c1nc2ocnc2s1.CC(C)(C)c1noc2ccccc12.CC(C)(C)c1nsc2ccccc12.CC(C)(C)c1occ2ccccc12.CC(C)(C)c1scc2ccccc12.CC(C)(C)n1ccc2ccccc21.CC(C)(C)n1nnc2ccccc21.CN1CCn2cccc2C1=O.CN1CCn2nccc2C1=O.Cn1nc(C(C)(C)C)c2ccccc21.Cn1nc(C(C)(C)C)c2ccncc21.Cn1nc(C(C)(C)C)c2cnccc21.c1cc2n(n1)CCCC2.
What is the InChIKey of 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is VUXACCQOVHVVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.C12H15N.C12H14O.C12H14S.2C11H15N3.C11H14N2.C11H13NO.C11H13NS.C10H13N3.C9H11N3S.C8H10N2O2.C8H10N2OS.C8H10N2O.C7H9N3O.C7H10N2.3C5H12/c1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-12(2,3)13-9-8-10-6-4-5-7-11(10)13;2*1-12(2,3)11-10-7-5-4-6-9(10)8-13-11;1-11(2,3)10-8-7-12-6-5-9(8)14(4)13-10;1-11(2,3)10-8-5-6-12-7-9(8)14(4)13-10;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;2*1-11(2,3)10-8-6-4-5-7-9(8)13-12-10;1-10(2,3)13-9-7-5-4-6-8(9)11-12-13;1-9(2,3)8-12-6-7(13-8)11-5-4-10-6;1-8(2,3)7-10-6-5(12-7)9-4-11-6;1-8(2,3)7-10-5-6(12-7)9-4-11-5;1-9-5-6-10-4-2-3-7(10)8(9)11;1-9-4-5-10-6(7(9)11)2-3-8-10;1-2-6-9-7(3-1)4-5-8-9;3*1-5(2,3)4/h5-8H,1-4H3;4-9H,1-3H3;2*4-8H,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3,(H,12,13);3*4-7H,1-3H3;4-5H,1-3H3;2*4H,1-3H3;2-4H,5-6H2,1H3;2-3H,4-5H2,1H3;4-5H,1-3,6H2;3*1-4H3.
What are the key properties of 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 3002.30 g/mol, XLogP of 45.49, 0 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-benzofuran;3-tert-butyl-1,2-benzothiazole;1-tert-butyl-2-benzothiophene;1-tert-butylbenzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-2H-indazole;1-tert-butylindole;3-tert-butyl-1-methylindazole;3-tert-butyl-1-methylpyrazolo[4,3-c]pyridine;3-tert-butyl-1-methylpyrazolo[5,4-c]pyridine;5-tert-butyl-[1,3]oxazolo[5,4-d][1,3]oxazole;2-tert-butyl-[1,3]thiazolo[4,5-b]pyrazine;5-tert-butyl-[1,3]thiazolo[5,4-d][1,3]oxazole;tris(2,2-dimethylpropane);5-methyl-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 161406414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).