1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole

C210H404F5N31O14S4 — CID 159051982

IUPAC1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole
SMILESC.C1CCOC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(S(C)(=O)=O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)CCOC1CCN(C(C)(C)C)C1.CC1(F)CN(C(C)(C)C)C1.CCc1nc(C(C)(C)C)no1.COC1CCN(C(C)(C)C)C1.COC1CCN(C(C)(C)C)CC1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)s1.Cc1coc(C)c1C(C)(C)C.Cc1nc(C(C)(C)C)n[nH]1.Cc1noc(C(C)(C)C)n1.Cn1cccc1.c1ccoc1.c1cscn1.c1nc[nH]n1.c1ncon1
InChIInChI=1S/C13H27NO.C10H21NO.C10H16O.C9H19NO2S.C9H19NO.C8H15F2N.3C8H16FN.C8H14N2O.C8H17NO2S.C8H13NO.C8H13NS.C8H17N.C8H13N.C7H13N3.C7H12N2O.2C7H12N2.C5H7N.6C5H12.C4H8O.C4H4O.C3H3NS.C2H3N3.C2H2N2O.CH4/c1-11(2)7-9-15-12-6-8-14(10-12)13(3,4)5;1-10(2,3)11-7-5-9(12-4)6-8-11;1-7-6-11-8(2)9(7)10(3,4)5;1-9(2,3)10-6-5-8(7-10)13(4,11)12;1-9(2,3)10-6-5-8(7-10)11-4;1-7(2,3)11-5-4-8(9,10)6-11;1-7(2,3)10-5-8(4,9)6-10;2*1-8(2,3)10-5-4-7(9)6-10;1-5-6-9-7(10-11-6)8(2,3)4;1-8(2,3)9-4-6-12(10,11)7-5-9;2*1-6-5-9-7(10-6)8(2,3)4;2*1-8(2,3)9-6-4-5-7-9;2*1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6-4-2-3-5-6;6*1-5(2,3)4;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-3-2-5-4-1;/h11-12H,6-10H2,1-5H3;9H,5-8H2,1-4H3;6H,1-5H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;5-6H2,1-4H3;2*7H,4-6H2,1-3H3;5H2,1-4H3;4-7H2,1-3H3;2*5H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;1-4H3,(H,8,9,10);1-4H3;2*4-6H,1-3H3;2-5H,1H3;6*1-4H3;1-4H2;1-4H;1-3H;1-2H,(H,3,4,5);1-2H;1H4/t;;;;;;;2*7-;;;;;;;;;;;;;;;;;;;;;;;/m.......10......................./s1
InChIKeyJXJLSKCDMYFWKF-IHHMHSQVSA-N
MW3811.00 g/mol
LogP53.06
Rot. Bonds8

About 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole

1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole (PubChem CID 159051982) has the molecular formula C210H404F5N31O14S4 and a molecular weight of 3811.00 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole
PubChem CID159051982
Molecular FormulaC210H404F5N31O14S4
Molecular Weight3811.00 g/mol
Exact Mass3808.07
IUPAC Name1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole
SMILESC.C1CCOC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(S(C)(=O)=O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)CCOC1CCN(C(C)(C)C)C1.CC1(F)CN(C(C)(C)C)C1.CCc1nc(C(C)(C)C)no1.COC1CCN(C(C)(C)C)C1.COC1CCN(C(C)(C)C)CC1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)s1.Cc1coc(C)c1C(C)(C)C.Cc1nc(C(C)(C)C)n[nH]1.Cc1noc(C(C)(C)C)n1.Cn1cccc1.c1ccoc1.c1cscn1.c1nc[nH]n1.c1ncon1
InChIInChI=1S/C13H27NO.C10H21NO.C10H16O.C9H19NO2S.C9H19NO.C8H15F2N.3C8H16FN.C8H14N2O.C8H17NO2S.C8H13NO.C8H13NS.C8H17N.C8H13N.C7H13N3.C7H12N2O.2C7H12N2.C5H7N.6C5H12.C4H8O.C4H4O.C3H3NS.C2H3N3.C2H2N2O.CH4/c1-11(2)7-9-15-12-6-8-14(10-12)13(3,4)5;1-10(2,3)11-7-5-9(12-4)6-8-11;1-7-6-11-8(2)9(7)10(3,4)5;1-9(2,3)10-6-5-8(7-10)13(4,11)12;1-9(2,3)10-6-5-8(7-10)11-4;1-7(2,3)11-5-4-8(9,10)6-11;1-7(2,3)10-5-8(4,9)6-10;2*1-8(2,3)10-5-4-7(9)6-10;1-5-6-9-7(10-11-6)8(2,3)4;1-8(2,3)9-4-6-12(10,11)7-5-9;2*1-6-5-9-7(10-6)8(2,3)4;2*1-8(2,3)9-6-4-5-7-9;2*1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6-4-2-3-5-6;6*1-5(2,3)4;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-3-2-5-4-1;/h11-12H,6-10H2,1-5H3;9H,5-8H2,1-4H3;6H,1-5H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;5-6H2,1-4H3;2*7H,4-6H2,1-3H3;5H2,1-4H3;4-7H2,1-3H3;2*5H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;1-4H3,(H,8,9,10);1-4H3;2*4-6H,1-3H3;2-5H,1H3;6*1-4H3;1-4H2;1-4H;1-3H;1-2H,(H,3,4,5);1-2H;1H4/t;;;;;;;2*7-;;;;;;;;;;;;;;;;;;;;;;;/m.......10......................./s1
InChIKeyJXJLSKCDMYFWKF-IHHMHSQVSA-N
XLogP53.06
TPSA461.09 Ų
H-Bond Donors2
H-Bond Acceptors45
Rotatable Bonds8
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003811.00
LogP ≤ 553.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1045

Analyze 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole with MolForge

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

Launch Full Analysis

Related Compounds

1-tert-butyl-3,3-difluoropyrrolidine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;(3S)-1-tert-butyl-3-fluoropyrrolidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;2-tert-butyl-5-methyl-1,3,4-oxadiazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;1-methylpyrazole;1,2,4-oxadiazole;oxolane;2H-tetrazole;1,3-thiazole
CID 158097714
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
CID 158711469
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine;5-propan-2-yl-1,3-oxazole
CID 158886857
benzene;1-tert-butyl-3,3-difluoropiperidine;1-tert-butyl-4,4-difluoropiperidine;(2S,6R)-4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-2,2-dimethylmorpholine;4-tert-butyl-2,6-dimethylmorpholine;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-4-fluoropiperidine;bis(1-tert-butylimidazole);1-tert-butyl-4-methoxypiperidine;4-tert-butyl-2-methylmorpholine;4-tert-butyl-3-methylmorpholine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butylpiperidin-4-ol;4-tert-butyl-1,4-thiazinane 1,1-dioxide;dodecakis(2,2-dimethylpropane);furan;1-methylpyrazole;1,2,4-oxadiazole;oxane;bis(pyridine);pyrimidin-2-amine;2H-tetrazole;1,3-thiazole;toluene
CID 159346623
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;bis(3-tert-butyl-1-methylpyrazole);3-tert-butyl-1-methylpyrrole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-3H-pyrazole;3-cyclopropyl-5-propan-2-yl-1,2,4-oxadiazole;3,5-ditert-butyl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1,2-oxazole;3-ethyl-5-propan-2-yl-1,2-oxazole;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-yl-4H-pyrazol-1-ium;2-methyl-4-propan-2-ylpyridine;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole
CID 159575313
5-Tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2-difluoropropyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2-oxazole;2-tert-butyl-4-methylfuran;2-tert-butyl-5-methylfuran;2-tert-butyl-4-methyl-1,3-oxazole;2-tert-butyl-5-methyl-1,3,4-thiadiazole;5-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-2-methyltriazole;5-tert-butyl-1,3-oxazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;2-methyl-4-propan-2-ylpyridine
CID 160376362
1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-3-methoxyazetidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-methylazetidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;tetrakis(2,2-dimethylpropane);methane;1-methylpyrrole;oxetane;oxolane;1,3-thiazole
CID 160953756
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;2-[(4-methylpyrazol-1-yl)methyl]pyridine;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161459908
4-tert-butyl-2,5-dimethyl-1,3-thiazole;4-tert-butyl-1-(2-methylpropyl)pyrazole;2-tert-butyl-5-methylthiophene;4-[(4-tert-butylthiophen-2-yl)methyl]morpholine;4-tert-butyl-2-(2,2,2-trifluoroethyl)triazole;cumene;2-cyclopropyl-5-propan-2-yl-1,3-oxazole;3-cyclopropyl-1-propan-2-yl-1,2,4-triazole;3,4-dimethyl-1-propan-2-ylpyrazole;N,N-dimethyl-1-(1-propan-2-yl-1,2,4-triazol-3-yl)methanamine;2-ethyl-4-propan-2-yl-1,3-thiazole;5-ethyl-3-propyl-1,2,4-oxadiazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-2-propan-2-ylthiophene;3-propan-2-ylfuran;4-propan-2-yl-1-propylpyrazole;2-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;3-[(4-propan-2-ylpyrazol-1-yl)methyl]pyridine;5-propan-2-yl-3H-pyrrole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
CID 161686232
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
tert-butylcyclopentane;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;4-tert-butyl-4H-imidazole;1-tert-butyl-4-methylpiperazine;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;2-tert-butyl-1,3-oxazolidine;3-tert-butyl-1,3-oxazolidine;4-tert-butyl-1,3-oxazolidine;2-tert-butyloxolane;3-tert-butyloxolane;1-tert-butylpiperidine;1-tert-butylpyrrole;1-tert-butylpyrrolidine;2-tert-butylpyrrolidine;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;5-tert-butyl-5H-tetrazole;2-tert-butylthiolane;3-tert-butylthiolane;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;3-tert-butyl-3H-1,2,4-triazole;4-tert-butyl-4H-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157108860
2,5-dimethylfuran;1,4-dimethylimidazole;bis(3,5-dimethyl-1,2,4-oxadiazole);2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;3,5-dimethyl-1H-pyrazole;3,6-dimethylpyridazine;bis(2,5-dimethylpyridine);bis(2,5-dimethylpyrimidine);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,3-dimethyl-1,2,4-triazole;3-fluoro-2,5-dimethylpyridine;methane;3,4,5-trimethyl-1,2-oxazole;2,3,5-trimethylpyridine;2,4,5-trimethyl-1,3-thiazole
CID 157150556

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole?
The IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole (CID 159051982) is 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole?
The canonical SMILES for 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole is C.C1CCOC1.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCC(S(C)(=O)=O)C1.CC(C)(C)N1CCCC1.CC(C)(C)N1CCS(=O)(=O)CC1.CC(C)(C)N1CC[C@@H](F)C1.CC(C)(C)N1CC[C@H](F)C1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)CCOC1CCN(C(C)(C)C)C1.CC1(F)CN(C(C)(C)C)C1.CCc1nc(C(C)(C)C)no1.COC1CCN(C(C)(C)C)C1.COC1CCN(C(C)(C)C)CC1.Cc1cnc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)s1.Cc1coc(C)c1C(C)(C)C.Cc1nc(C(C)(C)C)n[nH]1.Cc1noc(C(C)(C)C)n1.Cn1cccc1.c1ccoc1.c1cscn1.c1nc[nH]n1.c1ncon1.
What is the InChIKey of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole?
The InChIKey is JXJLSKCDMYFWKF-IHHMHSQVSA-N. The full InChI is InChI=1S/C13H27NO.C10H21NO.C10H16O.C9H19NO2S.C9H19NO.C8H15F2N.3C8H16FN.C8H14N2O.C8H17NO2S.C8H13NO.C8H13NS.C8H17N.C8H13N.C7H13N3.C7H12N2O.2C7H12N2.C5H7N.6C5H12.C4H8O.C4H4O.C3H3NS.C2H3N3.C2H2N2O.CH4/c1-11(2)7-9-15-12-6-8-14(10-12)13(3,4)5;1-10(2,3)11-7-5-9(12-4)6-8-11;1-7-6-11-8(2)9(7)10(3,4)5;1-9(2,3)10-6-5-8(7-10)13(4,11)12;1-9(2,3)10-6-5-8(7-10)11-4;1-7(2,3)11-5-4-8(9,10)6-11;1-7(2,3)10-5-8(4,9)6-10;2*1-8(2,3)10-5-4-7(9)6-10;1-5-6-9-7(10-11-6)8(2,3)4;1-8(2,3)9-4-6-12(10,11)7-5-9;2*1-6-5-9-7(10-6)8(2,3)4;2*1-8(2,3)9-6-4-5-7-9;2*1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-6-4-2-3-5-6;6*1-5(2,3)4;2*1-2-4-5-3-1;1-2-5-3-4-1;2*1-3-2-5-4-1;/h11-12H,6-10H2,1-5H3;9H,5-8H2,1-4H3;6H,1-5H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3;4-6H2,1-3H3;5-6H2,1-4H3;2*7H,4-6H2,1-3H3;5H2,1-4H3;4-7H2,1-3H3;2*5H,1-4H3;4-7H2,1-3H3;4-7H,1-3H3;1-4H3,(H,8,9,10);1-4H3;2*4-6H,1-3H3;2-5H,1H3;6*1-4H3;1-4H2;1-4H;1-3H;1-2H,(H,3,4,5);1-2H;1H4/t;;;;;;;2*7-;;;;;;;;;;;;;;;;;;;;;;;/m.......10......................./s1.
What are the key properties of 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole?
1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole has a molecular weight of 3811.00 g/mol, XLogP of 53.06, 8 rotatable bonds, 2 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoropyrrolidine;3-tert-butyl-2,4-dimethylfuran;3-tert-butyl-5-ethyl-1,2,4-oxadiazole;1-tert-butyl-3-fluoro-3-methylazetidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;(3S)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butylimidazole;1-tert-butyl-4-methoxypiperidine;1-tert-butyl-3-methoxypyrrolidine;1-tert-butyl-3-(3-methylbutoxy)pyrrolidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;2-tert-butyl-5-methyl-1,3-oxazole;1-tert-butyl-3-methylsulfonylpyrrolidine;2-tert-butyl-5-methyl-1,3-thiazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butylpyrrolidine;4-tert-butyl-1,4-thiazinane 1,1-dioxide;hexakis(2,2-dimethylpropane);furan;methane;1-methylpyrrole;1,2,4-oxadiazole;oxolane;1,3-thiazole;1H-1,2,4-triazole is sourced from PubChem (CID 159051982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).