4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole

C102H166N14O4S4 — CID 159770638

IUPAC4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n(C)n1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)cn1C.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cc1nocc1C(C)(C)C.Cc1nscc1C(C)(C)C
InChIInChI=1S/2C10H15N.2C9H16N2.4C8H13NO.4C8H13NS/c1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4;1-7-10-8(6-11(7)5)9(2,3)4;1-7-6-8(9(2,3)4)11(5)10-7;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h5-6H,1,7H2,2-4H3;5,7H,1,6H2,2-4H3;2*6H,1-5H3;8*5H,1-4H3
InChIKeyNGBJUNAZKGSACS-UHFFFAOYSA-N
MW1780.81 g/mol
LogP29.72
Rot. Bonds2

About 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole

4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole (PubChem CID 159770638) has the molecular formula C102H166N14O4S4 and a molecular weight of 1780.81 g/mol. Its IUPAC name is 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole.

Molecular Properties

Compound Name4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
PubChem CID159770638
Molecular FormulaC102H166N14O4S4
Molecular Weight1780.81 g/mol
Exact Mass1779.21
IUPAC Name4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
SMILESC=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n(C)n1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)cn1C.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cc1nocc1C(C)(C)C.Cc1nscc1C(C)(C)C
InChIInChI=1S/2C10H15N.2C9H16N2.4C8H13NO.4C8H13NS/c1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4;1-7-10-8(6-11(7)5)9(2,3)4;1-7-6-8(9(2,3)4)11(5)10-7;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h5-6H,1,7H2,2-4H3;5,7H,1,6H2,2-4H3;2*6H,1-5H3;8*5H,1-4H3
InChIKeyNGBJUNAZKGSACS-UHFFFAOYSA-N
XLogP29.72
TPSA216.04 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds2
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001780.81
LogP ≤ 529.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole with MolForge

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Launch Full Analysis

Related Compounds

5-Tert-butyl-3-cyclopropyl-1,2-oxazole;5-tert-butyl-3-(difluoromethyl)-1,2,4-oxadiazole;4-tert-butyl-1-(2,2-difluoropropyl)pyrazole;5-tert-butyl-3-ethyl-1,2,4-oxadiazole;5-tert-butyl-3-ethyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2,4-oxadiazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole;(5-tert-butyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole;5-tert-butyl-3-(2,2,2-trifluoroethyl)-1,2-oxazole;2-cyclopropyl-4-methyl-5-propan-2-yl-1,3-oxazole;1,3-dimethyl-4-propan-2-ylpyrazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,3-oxazole
CID 157131748
5-tert-butyl-3-(1,1-difluoroethyl)-1,2-oxazole;2-tert-butyl-5-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrrole;4-tert-butyl-2-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N,N-dimethylethenamine;5-tert-butyl-3-propyl-1,2-oxazole;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;2-methyl-3-propan-2-ylfuran;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpyrazole
CID 157658282
1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole;1-ethyl-3,5-dimethylpyrazole;methane;4-methyl-2,3-dihydro-1,2-thiazole;5-methyl-1,2-oxazole;4-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 160647161
1,5-Dimethylimidazole;3,4-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethylthiadiazole;2,3-dimethylthiophene;2,4-dimethyl-5-(trifluoromethyl)-1,3-oxazole;1-ethyl-3,5-dimethylpyrazole;methane;5-methyl-1,2-oxazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3,4,5-trimethyl-1,2-oxazole;1,3,5-trimethylpyrazole;2,4,5-trimethyl-1,3-thiazole
CID 162145101
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;2-methyl-4-propan-2-yl-1,3-oxazole;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;1-methyl-5-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 163601460
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;1-methyl-5-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 163722623
3-Methyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-propan-2-yltetrazole;2-methyl-4-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole;2-propan-2-yl-1,3-thiazole-4-carbonitrile;2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 165039287
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;3-methyl-5-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;1-methyl-5-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 167622328
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;1-methyl-2-propan-2-ylimidazole;3-methyl-4-propan-2-yl-1,2,5-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;3-methyl-4-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2,4-thiadiazole;3-methyl-4-propan-2-yl-1,2-thiazole;1-methyl-5-propan-2-yltriazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-3-(trifluoromethyl)-1,2-oxazole
CID 167651110
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
2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-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;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1-propan-2-yl-1,2,4-triazole;2-propan-2-yltriazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 157078364
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?
The IUPAC name of 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole (CID 159770638) is 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole.
What is the SMILES notation for 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?
The canonical SMILES for 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole is C=CC1=NC(C(C)(C)C)=CC1.C=CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n(C)n1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)cn1C.Cc1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)o1.Cc1ncc(C(C)(C)C)s1.Cc1nocc1C(C)(C)C.Cc1nscc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?
The InChIKey is NGBJUNAZKGSACS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15N.2C9H16N2.4C8H13NO.4C8H13NS/c1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4;1-7-10-8(6-11(7)5)9(2,3)4;1-7-6-8(9(2,3)4)11(5)10-7;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h5-6H,1,7H2,2-4H3;5,7H,1,6H2,2-4H3;2*6H,1-5H3;8*5H,1-4H3.
What are the key properties of 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?
4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole has a molecular weight of 1780.81 g/mol, XLogP of 29.72, 2 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,2-dimethylimidazole;5-tert-butyl-1,3-dimethylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 159770638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).