5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole

C219H352ClF3N38O5 — CID 159879476

IUPAC5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole
SMILESCC(C)(C)C1=C(C(F)(F)F)CN=C1.CC(C)(C)C1=C(c2ccccc2)CN=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cccnn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccco1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnn(CC2CCC2)c1.CC(C)(C)n1cccc1.CC(C)CCn1cc(C(C)(C)C)cn1.CC(C)Cn1cc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.CCCCc1nnc(C(C)(C)C)o1.CCCn1cc(C(C)(C)C)cn1.CN(C)c1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)c(OC)n1.Cc1ccc(C(C)(C)C)cn1.Cc1cn(C(C)(C)C)cn1.Cc1cn(C(C)(C)C)cn1.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)o1.Cn1ncc(C(C)(C)C)c1Cl
InChIInChI=1S/C14H17N.C12H20N2.C12H22N2.C12H15N.C11H20N2.C11H18N2.C10H16N2O2.C10H18N2O.2C10H18N2.C10H15N.C9H12F3N.C9H14.C8H13ClN2.C8H15N3.C8H12N2.2C8H14N2.2C8H12N2.C8H13N.C8H12O.C7H12N2O/c1-14(2,3)13-10-15-9-12(13)11-7-5-4-6-8-11;1-12(2,3)11-7-13-14(9-11)8-10-5-4-6-10;1-10(2)6-7-14-9-11(8-13-14)12(3,4)5;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-9(2)7-13-8-10(6-12-13)11(3,4)5;1-11(2,3)9-6-7-10(12-8-9)13(4)5;1-10(2,3)7-6-11-9(14-5)12-8(7)13-4;1-5-6-7-8-11-12-9(13-8)10(2,3)4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-5-6-12-8-9(7-11-12)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2,3)6-4-13-5-7(6)9(10,11)12;1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-5-10-11(4)7(6)9;1-6-9-10-7(11(6)5)8(2,3)4;1-8(2,3)7-4-9-6-10-5-7;2*1-7-5-10(6-9-7)8(2,3)4;2*1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-5-8-9-6(10-5)7(2,3)4/h4-8,10H,9H2,1-3H3;7,9-10H,4-6,8H2,1-3H3;8-10H,6-7H2,1-5H3;4-8,13H,1-3H3;6,8-9H,7H2,1-5H3;6-8H,1-5H3;6H,1-5H3;5-7H2,1-4H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;5-7H,1-4H3;4H,5H2,1-3H3;4,6-7H,5H2,1-3H3;5H,1-4H3;1-5H3;4-6H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;1-4H3
InChIKeyNTIOWHIOMLVFER-UHFFFAOYSA-N
MW3689.93 g/mol
LogP56.46
Rot. Bonds17

About 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole

5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole (PubChem CID 159879476) has the molecular formula C219H352ClF3N38O5 and a molecular weight of 3689.93 g/mol. Its IUPAC name is 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole.

Molecular Properties

Compound Name5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole
PubChem CID159879476
Molecular FormulaC219H352ClF3N38O5
Molecular Weight3689.93 g/mol
Exact Mass3686.81
IUPAC Name5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole
SMILESCC(C)(C)C1=C(C(F)(F)F)CN=C1.CC(C)(C)C1=C(c2ccccc2)CN=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cccnn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccco1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnn(CC2CCC2)c1.CC(C)(C)n1cccc1.CC(C)CCn1cc(C(C)(C)C)cn1.CC(C)Cn1cc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.CCCCc1nnc(C(C)(C)C)o1.CCCn1cc(C(C)(C)C)cn1.CN(C)c1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)c(OC)n1.Cc1ccc(C(C)(C)C)cn1.Cc1cn(C(C)(C)C)cn1.Cc1cn(C(C)(C)C)cn1.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)o1.Cn1ncc(C(C)(C)C)c1Cl
InChIInChI=1S/C14H17N.C12H20N2.C12H22N2.C12H15N.C11H20N2.C11H18N2.C10H16N2O2.C10H18N2O.2C10H18N2.C10H15N.C9H12F3N.C9H14.C8H13ClN2.C8H15N3.C8H12N2.2C8H14N2.2C8H12N2.C8H13N.C8H12O.C7H12N2O/c1-14(2,3)13-10-15-9-12(13)11-7-5-4-6-8-11;1-12(2,3)11-7-13-14(9-11)8-10-5-4-6-10;1-10(2)6-7-14-9-11(8-13-14)12(3,4)5;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-9(2)7-13-8-10(6-12-13)11(3,4)5;1-11(2,3)9-6-7-10(12-8-9)13(4)5;1-10(2,3)7-6-11-9(14-5)12-8(7)13-4;1-5-6-7-8-11-12-9(13-8)10(2,3)4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-5-6-12-8-9(7-11-12)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2,3)6-4-13-5-7(6)9(10,11)12;1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-5-10-11(4)7(6)9;1-6-9-10-7(11(6)5)8(2,3)4;1-8(2,3)7-4-9-6-10-5-7;2*1-7-5-10(6-9-7)8(2,3)4;2*1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-5-8-9-6(10-5)7(2,3)4/h4-8,10H,9H2,1-3H3;7,9-10H,4-6,8H2,1-3H3;8-10H,6-7H2,1-5H3;4-8,13H,1-3H3;6,8-9H,7H2,1-5H3;6-8H,1-5H3;6H,1-5H3;5-7H2,1-4H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;5-7H,1-4H3;4H,5H2,1-3H3;4,6-7H,5H2,1-3H3;5H,1-4H3;1-5H3;4-6H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;1-4H3
InChIKeyNTIOWHIOMLVFER-UHFFFAOYSA-N
XLogP56.46
TPSA460.29 Ų
H-Bond Donors1
H-Bond Acceptors42
Rotatable Bonds17
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003689.93
LogP ≤ 556.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1042

Analyze 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole with MolForge

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Related Compounds

2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole
CID 157289352
CID 159331646
CID 159331646
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclobutanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopentanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 159754234
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 160572850
5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole
CID 161847895
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;2,4-di(propan-2-yl)furan;2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)pyrazine;1,3-di(propan-2-yl)pyrazole;3,5-di(propan-2-yl)-1H-pyrazole;3,5-di(propan-2-yl)pyridazine;3,6-di(propan-2-yl)pyridazine;2,6-di(propan-2-yl)pyridine;1,5-di(propan-2-yl)pyridin-2-one;2,4-di(propan-2-yl)pyrimidine;2,4-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;1,3-di(propan-2-yl)-1,2,4-triazole;1-methyl-3,5-di(propan-2-yl)pyrazole
CID 157456833
1-tert-butylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 157911311
1-tert-butylbenzimidazole;2-tert-butyl-1H-benzimidazole;4-tert-butyl-1H-benzimidazole;2-tert-butyl-1H-imidazo[4,5-b]pyridine;3-tert-butylimidazo[4,5-b]pyridine;5-tert-butyl-1H-imidazo[4,5-b]pyridine;7-tert-butyl-1H-imidazo[4,5-b]pyridine;6-tert-butyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine;methane;4-[(2-methylpropan-2-yl)oxy]quinazoline;2-propan-2-yl-3H-quinazolin-4-one;3-propan-2-ylquinazolin-4-one;5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 157916418
5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide;1-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 158626757
1-tert-butylimidazole;5-tert-butyl-1-methylimidazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole
CID 159269954
2-chloro-1-methyl-5-propan-2-ylpyrrole;2-methyl-5-propan-2-ylfuran;1-methyl-5-propan-2-ylimidazole;1-methyl-3-propan-2-ylindazole;1-methyl-3-propan-2-ylindole;1-methyl-3-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;propan-2-ylcyclobutane;1-propan-2-ylcyclopenta-1,3-diene;propan-2-ylcyclopropane;2-propan-2-ylfuran;3-propan-2-yl-2H-indazole;3-propan-2-yl-1H-indole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-3H-pyrrole;3-propan-2-ylthiophene
CID 159578204
7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[5,1-f][1,2,4]triazine;methane;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 159889108

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole?
The IUPAC name of 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole (CID 159879476) is 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole.
What is the SMILES notation for 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole?
The canonical SMILES for 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole is CC(C)(C)C1=C(C(F)(F)F)CN=C1.CC(C)(C)C1=C(c2ccccc2)CN=C1.CC(C)(C)C1=CCC=C1.CC(C)(C)c1c[nH]c2ccccc12.CC(C)(C)c1cccnn1.CC(C)(C)c1cccnn1.CC(C)(C)c1ccco1.CC(C)(C)c1cncnc1.CC(C)(C)c1cnn(CC2CCC2)c1.CC(C)(C)n1cccc1.CC(C)CCn1cc(C(C)(C)C)cn1.CC(C)Cn1cc(C(C)(C)C)cn1.CC(C)n1cc(C(C)(C)C)cn1.CCCCc1nnc(C(C)(C)C)o1.CCCn1cc(C(C)(C)C)cn1.CN(C)c1ccc(C(C)(C)C)cn1.COc1ncc(C(C)(C)C)c(OC)n1.Cc1ccc(C(C)(C)C)cn1.Cc1cn(C(C)(C)C)cn1.Cc1cn(C(C)(C)C)cn1.Cc1nnc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)o1.Cn1ncc(C(C)(C)C)c1Cl.
What is the InChIKey of 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole?
The InChIKey is NTIOWHIOMLVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N.C12H20N2.C12H22N2.C12H15N.C11H20N2.C11H18N2.C10H16N2O2.C10H18N2O.2C10H18N2.C10H15N.C9H12F3N.C9H14.C8H13ClN2.C8H15N3.C8H12N2.2C8H14N2.2C8H12N2.C8H13N.C8H12O.C7H12N2O/c1-14(2,3)13-10-15-9-12(13)11-7-5-4-6-8-11;1-12(2,3)11-7-13-14(9-11)8-10-5-4-6-10;1-10(2)6-7-14-9-11(8-13-14)12(3,4)5;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-9(2)7-13-8-10(6-12-13)11(3,4)5;1-11(2,3)9-6-7-10(12-8-9)13(4)5;1-10(2,3)7-6-11-9(14-5)12-8(7)13-4;1-5-6-7-8-11-12-9(13-8)10(2,3)4;1-8(2)12-7-9(6-11-12)10(3,4)5;1-5-6-12-8-9(7-11-12)10(2,3)4;1-8-5-6-9(7-11-8)10(2,3)4;1-8(2,3)6-4-13-5-7(6)9(10,11)12;1-9(2,3)8-6-4-5-7-8;1-8(2,3)6-5-10-11(4)7(6)9;1-6-9-10-7(11(6)5)8(2,3)4;1-8(2,3)7-4-9-6-10-5-7;2*1-7-5-10(6-9-7)8(2,3)4;2*1-8(2,3)7-5-4-6-9-10-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-5-8-9-6(10-5)7(2,3)4/h4-8,10H,9H2,1-3H3;7,9-10H,4-6,8H2,1-3H3;8-10H,6-7H2,1-5H3;4-8,13H,1-3H3;6,8-9H,7H2,1-5H3;6-8H,1-5H3;6H,1-5H3;5-7H2,1-4H3;6-8H,1-5H3;7-8H,5-6H2,1-4H3;5-7H,1-4H3;4H,5H2,1-3H3;4,6-7H,5H2,1-3H3;5H,1-4H3;1-5H3;4-6H,1-3H3;2*5-6H,1-4H3;2*4-6H,1-3H3;4-7H,1-3H3;4-6H,1-3H3;1-4H3.
What are the key properties of 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole?
5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole has a molecular weight of 3689.93 g/mol, XLogP of 56.46, 17 rotatable bonds, 1 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-tert-butyl-1,3,4-oxadiazole;4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-1-(cyclobutylmethyl)pyrazole;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-2,4-dimethoxypyrimidine;5-tert-butyl-N,N-dimethylpyridin-2-amine;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;2-tert-butylfuran;3-tert-butyl-1H-indole;4-tert-butyl-1-(3-methylbutyl)pyrazole;bis(1-tert-butyl-4-methylimidazole);2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;5-tert-butyl-2-methylpyridine;4-tert-butyl-3-phenyl-2H-pyrrole;4-tert-butyl-1-propan-2-ylpyrazole;4-tert-butyl-1-propylpyrazole;bis(3-tert-butylpyridazine);5-tert-butylpyrimidine;1-tert-butylpyrrole;4-tert-butyl-3-(trifluoromethyl)-2H-pyrrole is sourced from PubChem (CID 159879476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).