3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane

C196H334N30O10S4 — CID 158721544

IUPAC3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
SMILESCC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1ccoc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncs1.CC(C)(C)c1nc(N)n[nH]1.CC(C)(C)c1ncc[nH]1.C[C@@H]1CCCO1.C[C@@H]1CCOC1.C[C@H]1CCCO1.C[C@H]1CCOC1.Cc1ccncc1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.Cc1ncncc1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C10H15N.C9H15N3.2C9H14N2.C9H13N.C9H18O.3C8H14N2.C8H12N2.C8H13NO.C8H13NS.C8H16O.C8H12O.C8H16O.C8H12S.2C7H12N2.C7H11NO.2C7H11NS.C6H12N4.4C5H10O/c1-8-5-6-11-7-9(8)10(2,3)4;1-6-11-5-7(8(10)12-6)9(2,3)4;1-7-8(9(2,3)4)5-10-6-11-7;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-6-7(8(2,3)4)10-5-9-6;1-6-9-7(5-10-6)8(2,3)4;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)4-8-5(7)10-9-4;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5/h5-7H,1-4H3;5H,1-4H3,(H2,10,11,12);2*5-6H,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);4-6H,1-3H3;2*5H,1-4H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;1-3H3,(H3,7,8,9,10);4*5H,2-4H2,1H3/t;;;;;;;;;;;;;;;;;;;;;;4*5-/m......................1010/s1
InChIKeyIJZCOEDMOJSTTP-QPJANMNCSA-N
MW3399.30 g/mol
LogP50.92
Rot. Bonds

About 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane

3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane (PubChem CID 158721544) has the molecular formula C196H334N30O10S4 and a molecular weight of 3399.30 g/mol. Its IUPAC name is 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane.

Molecular Properties

Compound Name3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
PubChem CID158721544
Molecular FormulaC196H334N30O10S4
Molecular Weight3399.30 g/mol
Exact Mass3396.54
IUPAC Name3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane
SMILESCC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1ccoc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncs1.CC(C)(C)c1nc(N)n[nH]1.CC(C)(C)c1ncc[nH]1.C[C@@H]1CCCO1.C[C@@H]1CCOC1.C[C@H]1CCCO1.C[C@H]1CCOC1.Cc1ccncc1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.Cc1ncncc1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C
InChIInChI=1S/C10H15N.C9H15N3.2C9H14N2.C9H13N.C9H18O.3C8H14N2.C8H12N2.C8H13NO.C8H13NS.C8H16O.C8H12O.C8H16O.C8H12S.2C7H12N2.C7H11NO.2C7H11NS.C6H12N4.4C5H10O/c1-8-5-6-11-7-9(8)10(2,3)4;1-6-11-5-7(8(10)12-6)9(2,3)4;1-7-8(9(2,3)4)5-10-6-11-7;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-6-7(8(2,3)4)10-5-9-6;1-6-9-7(5-10-6)8(2,3)4;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)4-8-5(7)10-9-4;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5/h5-7H,1-4H3;5H,1-4H3,(H2,10,11,12);2*5-6H,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);4-6H,1-3H3;2*5H,1-4H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;1-3H3,(H3,7,8,9,10);4*5H,2-4H2,1H3/t;;;;;;;;;;;;;;;;;;;;;;4*5-/m......................1010/s1
InChIKeyIJZCOEDMOJSTTP-QPJANMNCSA-N
XLogP50.92
TPSA512.67 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003399.30
LogP ≤ 550.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Analyze 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
CID 157420589
2-cyclopropyl-4-propan-2-ylpyrimidine;1-methyl-4-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;(1-methyl-3-propan-2-ylpyrazol-5-yl)-morpholin-4-ylmethanone;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;3-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;5-(oxetan-3-yl)-3-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-6-(trifluoromethyl)pyridazine
CID 157582125
tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;methane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
CID 157711014
tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
CID 157738523
CID 157902277
CID 157902277
2-chloro-3-propan-2-ylpyridine;2-chloro-4-propan-2-ylpyridine;2-chloro-5-propan-2-ylpyridine;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-3-propan-2-yl-2H-pyrrole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;3-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;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-yl-4-(trifluoromethyl)pyridine;2-propan-2-yl-6-(trifluoromethyl)pyridine
CID 158019428
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-2-methylpyridine;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;2,2,3,3-tetramethylbutane;2-(2,3,3-trimethylbutan-2-yl)furan;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-3H-pyrrole
CID 158196645
tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butylthiomorpholine;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
CID 158320091
5-tert-butyl-2,3-dimethylfuran;3-tert-butyl-1,5-dimethylpyrazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-5-methyl-1,2-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butyl-4-methylpyridine;4-tert-butyl-6-methylpyrimidine;2-tert-butyl-5-methyl-1,3,4-thiadiazole;3-tert-butyl-5-methyl-1,2,4-thiadiazole;4-tert-butyl-2-methyl-1,3-thiazole;4,5-dimethyl-1-propan-2-ylpyrazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;3-(2-fluoropropan-2-yl)-5-methyl-1,2-oxazole;5-methyl-3-(2-methylbutan-2-yl)-1,2-oxazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-1-propan-2-ylpyrazole;4-methyl-1-propan-2-yltriazole;5-methyl-3-(trifluoromethyl)-1,2-oxazole;2-methyl-4-(trifluoromethyl)pyridine;2-methyl-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 158832470
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
tert-butyl 2-tert-butylpyrrole-1-carboxylate;1-tert-butyl-4,4-difluoropiperidine;2-tert-butyl-2,4-dimethyl-1,3-dioxolane;4-tert-butyl-2,6-dimethylmorpholine;4-tert-butyl-3,5-dimethyl-1,2-oxazole;3-tert-butyl-2-fluoropyridine;2-tert-butylfuran;2-tert-butyl-2-methyl-1,3-dioxolane;2-tert-butyl-5-methyl-1,3,4-oxadiazole;4-tert-butyl-4-methyloxane;5-tert-butyl-4-methyl-1,3-oxazole;5-tert-butyl-1-methyltetrazole;4-tert-butyloxane;1-tert-butylpiperazine;1-tert-butylpiperidine;5-tert-butylpyrimidine;2-tert-butyl-1H-pyrrole;1-tert-butylpyrrolidine;4-tert-butylthiadiazole;4-tert-butyl-1,4-thiazinane 1,1-dioxide;4-tert-butylthiomorpholine;3-tert-butylthiophene;2-tert-butyl-2,4,5-trimethyl-1,3-dioxolane;methyl 2,2,3,3-tetramethylbutanoate;2-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;4-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole;5-(2,3,3-trimethylbutan-2-yl)-1,3-oxazole
CID 159164060

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane?
The IUPAC name of 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane (CID 158721544) is 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane.
What is the SMILES notation for 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane?
The canonical SMILES for 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane is CC(C)(C)C1CCCO1.CC(C)(C)C1CCOC1.CC(C)(C)C1CCOCC1.CC(C)(C)c1cccnc1.CC(C)(C)c1cccs1.CC(C)(C)c1ccno1.CC(C)(C)c1ccns1.CC(C)(C)c1ccoc1.CC(C)(C)c1cn[nH]c1.CC(C)(C)c1cnccn1.CC(C)(C)c1cncs1.CC(C)(C)c1nc(N)n[nH]1.CC(C)(C)c1ncc[nH]1.C[C@@H]1CCCO1.C[C@@H]1CCOC1.C[C@H]1CCCO1.C[C@H]1CCOC1.Cc1ccncc1C(C)(C)C.Cc1cnc(C(C)(C)C)[nH]1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)c(N)n1.Cc1ncc(C(C)(C)C)cn1.Cc1ncncc1C(C)(C)C.Cc1ncoc1C(C)(C)C.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C.
What is the InChIKey of 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane?
The InChIKey is IJZCOEDMOJSTTP-QPJANMNCSA-N. The full InChI is InChI=1S/C10H15N.C9H15N3.2C9H14N2.C9H13N.C9H18O.3C8H14N2.C8H12N2.C8H13NO.C8H13NS.C8H16O.C8H12O.C8H16O.C8H12S.2C7H12N2.C7H11NO.2C7H11NS.C6H12N4.4C5H10O/c1-8-5-6-11-7-9(8)10(2,3)4;1-6-11-5-7(8(10)12-6)9(2,3)4;1-7-8(9(2,3)4)5-10-6-11-7;1-7-10-5-8(6-11-7)9(2,3)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-6-5-9-7(10-6)8(2,3)4;1-8(2,3)7-6-9-4-5-10-7;1-6-7(8(2,3)4)10-5-9-6;1-6-9-7(5-10-6)8(2,3)4;2*1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-9-5-6;1-7(2,3)6-8-4-5-9-6;1-7(2,3)6-4-5-8-9-6;1-7(2,3)6-4-8-5-9-6;1-7(2,3)6-4-5-8-9-6;1-6(2,3)4-8-5(7)10-9-4;2*1-5-2-3-6-4-5;2*1-5-3-2-4-6-5/h5-7H,1-4H3;5H,1-4H3,(H2,10,11,12);2*5-6H,1-4H3;4-7H,1-3H3;8H,4-7H2,1-3H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);4-6H,1-3H3;2*5H,1-4H3;7H,4-6H2,1-3H3;4-6H,1-3H3;7H,4-6H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;1-3H3,(H3,7,8,9,10);4*5H,2-4H2,1H3/t;;;;;;;;;;;;;;;;;;;;;;4*5-/m......................1010/s1.
What are the key properties of 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane?
3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane has a molecular weight of 3399.30 g/mol, XLogP of 50.92, 0 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylfuran;2-tert-butyl-1H-imidazole;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methyl-1H-imidazole;5-tert-butyl-4-methyl-1,3-oxazole;3-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methylpyridine;5-tert-butyl-2-methylpyrimidin-4-amine;5-tert-butyl-2-methylpyrimidine;5-tert-butyl-4-methylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyloxane;5-tert-butyl-1,2-oxazole;2-tert-butyloxolane;3-tert-butyloxolane;2-tert-butylpyrazine;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;5-tert-butyl-1H-1,2,4-triazol-3-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3R)-3-methyloxolane;(3S)-3-methyloxolane is sourced from PubChem (CID 158721544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).