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

C174H333F4N33O11S3 — CID 158097714

IUPAC1-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
SMILESC1CCOC1.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)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.CCc1nc(C(C)(C)C)no1.COC1CCN(C(C)(C)C)C1.COC1CCN(C(C)(C)C)CC1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nnc(C(C)(C)C)o1.Cc1nnc(C(C)(C)C)s1.Cc1noc(C(C)(C)C)n1.Cc1noc(C)c1C(C)(C)C.Cn1cccn1.c1ccoc1.c1cscn1.c1ncon1.c1nn[nH]n1
InChIInChI=1S/C10H21NO.C9H19NO.C9H15NO.C8H15F2N.2C8H16FN.C8H14N2O.C8H17NO2S.C8H17N.C8H13N.C7H13N3.2C7H12N2O.C7H12N2S.2C7H12N2.6C5H12.C4H6N2.C4H8O.C4H4O.C3H3NS.C2H2N2O.CH2N4/c1-10(2,3)11-7-5-9(12-4)6-8-11;1-9(2,3)10-6-5-8(7-10)11-4;1-6-8(9(3,4)5)7(2)11-10-6;1-7(2,3)11-5-4-8(9,10)6-11;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*1-8(2,3)9-6-4-5-7-9;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;6*1-5(2,3)4;1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;1-5H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;5H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;1-4H3,(H,8,9,10);3*1-4H3;2*4-6H,1-3H3;6*1-4H3;2-4H,1H3;1-4H2;1-4H;1-3H;1-2H;1H,(H,2,3,4,5)/t;;;;2*7-;;;;;;;;;;;;;;;;;;;;;;/m....10....................../s1
InChIKeyFOWGTXIQRFAJPN-JUZZLCKFSA-N
MW3235.99 g/mol
LogP43.75
Rot. Bonds3

About 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

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 (PubChem CID 158097714) has the molecular formula C174H333F4N33O11S3 and a molecular weight of 3235.99 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID158097714
Molecular FormulaC174H333F4N33O11S3
Molecular Weight3235.99 g/mol
Exact Mass3233.56
IUPAC Name1-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
SMILESC1CCOC1.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)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.CCc1nc(C(C)(C)C)no1.COC1CCN(C(C)(C)C)C1.COC1CCN(C(C)(C)C)CC1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nnc(C(C)(C)C)o1.Cc1nnc(C(C)(C)C)s1.Cc1noc(C(C)(C)C)n1.Cc1noc(C)c1C(C)(C)C.Cn1cccn1.c1ccoc1.c1cscn1.c1ncon1.c1nn[nH]n1
InChIInChI=1S/C10H21NO.C9H19NO.C9H15NO.C8H15F2N.2C8H16FN.C8H14N2O.C8H17NO2S.C8H17N.C8H13N.C7H13N3.2C7H12N2O.C7H12N2S.2C7H12N2.6C5H12.C4H6N2.C4H8O.C4H4O.C3H3NS.C2H2N2O.CH2N4/c1-10(2,3)11-7-5-9(12-4)6-8-11;1-9(2,3)10-6-5-8(7-10)11-4;1-6-8(9(3,4)5)7(2)11-10-6;1-7(2,3)11-5-4-8(9,10)6-11;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*1-8(2,3)9-6-4-5-7-9;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;6*1-5(2,3)4;1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;1-5H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;5H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;1-4H3,(H,8,9,10);3*1-4H3;2*4-6H,1-3H3;6*1-4H3;2-4H,1H3;1-4H2;1-4H;1-3H;1-2H;1H,(H,2,3,4,5)/t;;;;2*7-;;;;;;;;;;;;;;;;;;;;;;/m....10....................../s1
InChIKeyFOWGTXIQRFAJPN-JUZZLCKFSA-N
XLogP43.75
TPSA472.45 Ų
H-Bond Donors2
H-Bond Acceptors44
Rotatable Bonds3
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003235.99
LogP ≤ 543.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1044

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;3-tert-butyl-1,2,4-oxadiazole;5-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;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butyl-1H-pyrazole;bis(5-tert-butyl-1H-pyrazole);3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazole
CID 157647944
1-tert-butylimidazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole
CID 158985003
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;bis(4-tert-butyl-1,3-oxazole);5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;2-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene
CID 159332873
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
CID 160455316
1-tert-butylimidazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;5-tert-butyl-1-methyltriazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;octakis(2,2-dimethylpropane);furan;1-methylimidazole;5-methyl-1,3-oxazole;tetrakis(2-methylpropane);1-methylpyrrole;pyrazine;pyridazine;pyridine;pyrimidine;bis(1,3-thiazole);thiophene;1H-1,2,4-triazole;2H-triazole
CID 161239486

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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)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.CCc1nc(C(C)(C)C)no1.COC1CCN(C(C)(C)C)C1.COC1CCN(C(C)(C)C)CC1.Cc1nc(C(C)(C)C)n[nH]1.Cc1nnc(C(C)(C)C)o1.Cc1nnc(C(C)(C)C)s1.Cc1noc(C(C)(C)C)n1.Cc1noc(C)c1C(C)(C)C.Cn1cccn1.c1ccoc1.c1cscn1.c1ncon1.c1nn[nH]n1.
What is the InChIKey of 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?
The InChIKey is FOWGTXIQRFAJPN-JUZZLCKFSA-N. The full InChI is InChI=1S/C10H21NO.C9H19NO.C9H15NO.C8H15F2N.2C8H16FN.C8H14N2O.C8H17NO2S.C8H17N.C8H13N.C7H13N3.2C7H12N2O.C7H12N2S.2C7H12N2.6C5H12.C4H6N2.C4H8O.C4H4O.C3H3NS.C2H2N2O.CH2N4/c1-10(2,3)11-7-5-9(12-4)6-8-11;1-9(2,3)10-6-5-8(7-10)11-4;1-6-8(9(3,4)5)7(2)11-10-6;1-7(2,3)11-5-4-8(9,10)6-11;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*1-8(2,3)9-6-4-5-7-9;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-5-8-6(10-9-5)7(2,3)4;1-5-8-9-6(10-5)7(2,3)4;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;6*1-5(2,3)4;1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-2-5-3-4-1;1-3-2-5-4-1;1-2-4-5-3-1/h9H,5-8H2,1-4H3;8H,5-7H2,1-4H3;1-5H3;4-6H2,1-3H3;2*7H,4-6H2,1-3H3;5H2,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-7H,1-3H3;1-4H3,(H,8,9,10);3*1-4H3;2*4-6H,1-3H3;6*1-4H3;2-4H,1H3;1-4H2;1-4H;1-3H;1-2H;1H,(H,2,3,4,5)/t;;;;2*7-;;;;;;;;;;;;;;;;;;;;;;/m....10....................../s1.
What are the key properties of 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?
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 has a molecular weight of 3235.99 g/mol, XLogP of 43.75, 3 rotatable bonds, 2 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158097714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).