2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine

C174H250BrF4N29O7S2 — CID 159368614

IUPAC2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1ccc(=O)[nH]n1.CC(C)(C)c1ccc2cccnn12.CC(C)(C)c1ccc2cncnn12.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc(S(C)(=O)=O)n1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1coc(Br)n1.CC(C)(C)c1coc(C2CC2)n1.Cc1ccc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)ccc1C#N.Cc1nc2c(C(C)(C)C)cncc2[nH]1.Cn1ccc(C(C)(C)C)n1
InChIInChI=1S/C11H15N3.2C11H14N2.C10H12F3N.C10H13N3.C10H15NO.C10H14O.C9H12FN.C9H14N2O2S.2C9H14N2.C9H13N.C9H14O.C8H12N2O.C8H14N2.2C8H12N2.C8H12S.C7H10BrNO/c1-7-13-9-6-12-5-8(10(9)14-7)11(2,3)4;1-11(2,3)10-7-6-9-5-4-8-12-13(9)10;1-8-9(7-12)5-6-10(13-8)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)9-5-4-8-6-11-7-12-13(8)9;1-10(2,3)8-6-12-9(11-8)7-4-5-7;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-6-10-8(11-7)14(4,12)13;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-10-6-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)6-4-5-7(11)10-9-6;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)5-4-10-6(8)9-5/h5-6H,1-4H3,(H,13,14);4-8H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;6-7H,4-5H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-5H,1-3H3,(H,10,11);5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;4H,1-3H3
InChIKeyLJLILZKMYVMRPO-UHFFFAOYSA-N
MW3080.14 g/mol
LogP43.76
Rot. Bonds2

About 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine

2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine (PubChem CID 159368614) has the molecular formula C174H250BrF4N29O7S2 and a molecular weight of 3080.14 g/mol. Its IUPAC name is 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine
PubChem CID159368614
Molecular FormulaC174H250BrF4N29O7S2
Molecular Weight3080.14 g/mol
Exact Mass3076.87
IUPAC Name2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1ccc(=O)[nH]n1.CC(C)(C)c1ccc2cccnn12.CC(C)(C)c1ccc2cncnn12.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc(S(C)(=O)=O)n1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1coc(Br)n1.CC(C)(C)c1coc(C2CC2)n1.Cc1ccc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)ccc1C#N.Cc1nc2c(C(C)(C)C)cncc2[nH]1.Cn1ccc(C(C)(C)C)n1
InChIInChI=1S/C11H15N3.2C11H14N2.C10H12F3N.C10H13N3.C10H15NO.C10H14O.C9H12FN.C9H14N2O2S.2C9H14N2.C9H13N.C9H14O.C8H12N2O.C8H14N2.2C8H12N2.C8H12S.C7H10BrNO/c1-7-13-9-6-12-5-8(10(9)14-7)11(2,3)4;1-11(2,3)10-7-6-9-5-4-8-12-13(9)10;1-8-9(7-12)5-6-10(13-8)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)9-5-4-8-6-11-7-12-13(8)9;1-10(2,3)8-6-12-9(11-8)7-4-5-7;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-6-10-8(11-7)14(4,12)13;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-10-6-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)6-4-5-7(11)10-9-6;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)5-4-10-6(8)9-5/h5-6H,1-4H3,(H,13,14);4-8H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;6-7H,4-5H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-5H,1-3H3,(H,10,11);5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;4H,1-3H3
InChIKeyLJLILZKMYVMRPO-UHFFFAOYSA-N
XLogP43.76
TPSA473.29 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds2
Heavy Atoms217
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003080.14
LogP ≤ 543.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine with MolForge

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Launch Full Analysis

Related Compounds

(4-tert-butyl-1H-benzimidazol-2-yl)methanol;3-tert-butyl-6-chlorothieno[3,2-b]pyridine;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;7-tert-butyl-3-methyltriazolo[4,5-c]pyridine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 157380217
2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-2H-pyrazolo[4,3-b]pyridine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;3-tert-butyl-1H-pyrrolo[3,2-b]pyridine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine
CID 158270183
2-tert-butylbenzonitrile;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;1-tert-butylimidazole;2-tert-butyl-3H-indole;3-tert-butylisoquinoline;4-tert-butyl-1-methylpyrazole;4-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butylquinazoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;4-tert-butyl-2H-triazole;3-(2,2-dimethylpropyl)-1,1-difluorocyclobutane;4-(2,2-dimethylpropyl)oxane
CID 159544015
cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1H-indole;5-propan-2-yl-1,2,4-oxadiazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;bis(5-propan-2-yl-1H-pyrazole);bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);bis(2-propan-2-ylthiophene);2-propan-2-yl-5-(trifluoromethyl)-1,3-thiazole
CID 159939351
2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;4-tert-butyl-2-methyl-1,3-oxazole;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;4-tert-butyl-2-methyl-1,3-thiazole;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine;2,4-ditert-butyl-1,3-oxazole
CID 160329704
7-tert-butyl-3H-imidazo[4,5-c]pyridine;4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-tert-butyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;N-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]acetamide;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-tert-butyl-2-pyrimidin-4-yl-1,3-oxazole;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-thiazol-2-yl)morpholine
CID 160608168
6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6lambda4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfinyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157063524
2-butylsulfinyl-4-pyridin-3-yl-6-(1,3-thiazol-2-yl)thieno[2,3-b]pyridin-3-amine;6-(cyclopropylmethylsulfinyl)-4-pyrimidin-2-yl-2-(1,3-thiazol-2-yl)thieno[2,3-d]pyrimidine;2-(2-cyclopropylsulfinyl-7-phenyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-1,3-oxazole;13-(2-methoxyethoxy)-6-methylidene-11-(5-methylthiophen-2-yl)-6lambda4,8-dithia-10-azatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene;(5-methyl-2-propylsulfonyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl) carbamate;2-(1,3,4-oxadiazol-2-yl)-6-prop-2-enylsulfonyl-4-(1H-pyrazol-5-yl)thieno[2,3-d]pyrimidine-5-carbonitrile;2-pentylsulfinyl-5-thiophen-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157114502
cumene;6-ethyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methyl-5-propan-2-ylpyridine;6-methyl-5-propan-2-ylpyridine-2-carbonitrile;1-methyl-3-propan-2-ylpyridin-2-one;3-propan-2-yl-1-benzothiophene;6-propan-2-ylimidazo[1,2-a]pyridine;8-propan-2-ylimidazo[1,5-a]pyridine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;5-propan-2-ylpyridine-2-carbonitrile;2-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157153055
tert-butylbenzene;2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;2-tert-butyl-3H-pyrrole;4-tert-butyl-3H-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;methane
CID 157288239
bis(tert-butylbenzene);tert-butylcyclobutane;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;4-tert-butyl-2H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;tris(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;tris(5-tert-butyl-3H-pyrrole);1-tert-butyltetrazole;2-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;5-tert-butyl-3H-1,2,4-triazole
CID 157378969
Cumene;methane;1-methyl-2-propan-2-ylimidazole;1-methyl-5-propan-2-ylimidazole;1-methyl-5-propan-2-ylpyrazole;bis(1-methyl-2-propan-2-ylpyrrole);2-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-ylthiophene;4-methyl-3-propan-2-yl-1,2,4-triazole;1-methylsulfonyl-2-propan-2-ylpyrrolidine;propan-2-ylcyclohexane;bis(propan-2-ylcyclopentane);bis(3-propan-2-ylfuran);2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;5-propan-2-ylpyrimidine;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;bis(3-propan-2-ylthiophene)
CID 157526200

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine (CID 159368614) is 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine is CC(C)(C)C1=CC=CCC1=O.CC(C)(C)c1ccc(=O)[nH]n1.CC(C)(C)c1ccc2cccnn12.CC(C)(C)c1ccc2cncnn12.CC(C)(C)c1cccc(C(F)(F)F)n1.CC(C)(C)c1cccc(F)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccs1.CC(C)(C)c1ccnc(S(C)(=O)=O)n1.CC(C)(C)c1ccncn1.CC(C)(C)c1cnccn1.CC(C)(C)c1coc(Br)n1.CC(C)(C)c1coc(C2CC2)n1.Cc1ccc(C(C)(C)C)o1.Cc1cnc(C(C)(C)C)cn1.Cc1cncc(C(C)(C)C)n1.Cc1nc(C(C)(C)C)ccc1C#N.Cc1nc2c(C(C)(C)C)cncc2[nH]1.Cn1ccc(C(C)(C)C)n1.
What is the InChIKey of 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine?
The InChIKey is LJLILZKMYVMRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.2C11H14N2.C10H12F3N.C10H13N3.C10H15NO.C10H14O.C9H12FN.C9H14N2O2S.2C9H14N2.C9H13N.C9H14O.C8H12N2O.C8H14N2.2C8H12N2.C8H12S.C7H10BrNO/c1-7-13-9-6-12-5-8(10(9)14-7)11(2,3)4;1-11(2,3)10-7-6-9-5-4-8-12-13(9)10;1-8-9(7-12)5-6-10(13-8)11(2,3)4;1-9(2,3)7-5-4-6-8(14-7)10(11,12)13;1-10(2,3)9-5-4-8-6-11-7-12-13(8)9;1-10(2,3)8-6-12-9(11-8)7-4-5-7;1-10(2,3)8-6-4-5-7-9(8)11;1-9(2,3)7-5-4-6-8(10)11-7;1-9(2,3)7-5-6-10-8(11-7)14(4,12)13;1-7-5-11-8(6-10-7)9(2,3)4;1-7-5-10-6-8(11-7)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-7-5-6-8(10-7)9(2,3)4;1-8(2,3)6-4-5-7(11)10-9-6;1-8(2,3)7-5-6-10(4)9-7;1-8(2,3)7-6-9-4-5-10-7;1-8(2,3)7-4-5-9-6-10-7;1-8(2,3)7-5-4-6-9-7;1-7(2,3)5-4-10-6(8)9-5/h5-6H,1-4H3,(H,13,14);4-8H,1-3H3;5-6H,1-4H3;4-6H,1-3H3;4-7H,1-3H3;6-7H,4-5H2,1-3H3;4-6H,7H2,1-3H3;4-6H,1-3H3;5-6H,1-4H3;2*5-6H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-5H,1-3H3,(H,10,11);5-6H,1-4H3;2*4-6H,1-3H3;4-6H,1-3H3;4H,1-3H3.
What are the key properties of 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine?
2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine has a molecular weight of 3080.14 g/mol, XLogP of 43.76, 2 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-tert-butyl-1,3-oxazole;2-tert-butylcyclohexa-2,4-dien-1-one;4-tert-butyl-2-cyclopropyl-1,3-oxazole;2-tert-butyl-6-fluoropyridine;2-tert-butyl-5-methylfuran;7-tert-butyl-2-methyl-3H-imidazo[4,5-c]pyridine;2-tert-butyl-5-methylpyrazine;2-tert-butyl-6-methylpyrazine;3-tert-butyl-1-methylpyrazole;6-tert-butyl-2-methylpyridine-3-carbonitrile;4-tert-butyl-2-methylsulfonylpyrimidine;2-tert-butylpyrazine;3-tert-butyl-1H-pyridazin-6-one;2-tert-butylpyridine;4-tert-butylpyrimidine;7-tert-butylpyrrolo[1,2-b]pyridazine;7-tert-butylpyrrolo[2,1-f][1,2,4]triazine;2-tert-butylthiophene;2-tert-butyl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 159368614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).