3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine

C195H303F5N28O11 — CID 159470779

IUPAC3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)C1(C)COC1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1ccn(C(F)F)n1.CC(C)(C)c1cn2ccc(C(F)(F)F)cc2n1.CC(C)(C)c1cnc(C2CC2)nc1.CC(C)Oc1cc(C(C)(C)C)ccn1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1nc(C(C)(C)C)no1.CCn1nccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)n1.COc1cncc(C(C)(C)C)c1.COc1ncc(C(C)(C)C)cn1.COc1nccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C
InChIInChI=1S/C12H13F3N2.C12H19NO.C12H17NO.C11H16N2.C11H15NO.C11H16O.C11H16.C10H15NO.C10H17NO.C10H15NO.C10H15N.2C9H14N2O.C9H16N2O.C9H16N2.C8H12F2N2.2C8H14N2.C8H16O.C7H13N3/c1-11(2,3)9-7-17-5-4-8(12(13,14)15)6-10(17)16-9;1-9(2)14-11-8-10(6-7-13-11)12(3,4)5;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-11(2,3)9-6-12-10(13-7-9)8-4-5-8;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-9(12-4)7-11-6-8;1-7(2)9-11-8(6-12-9)10(3,4)5;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)8-5-4-6-9(11)7-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-10-8(11-7)12-4;1-6(2)7-10-8(11-12-7)9(3,4)5;1-5-11-8(6-7-10-11)9(2,3)4;1-8(2,3)6-4-5-12(11-6)7(9)10;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)8(4)5-9-6-8;1-7(2,3)6-9-8-5-10(6)4/h4-7H,1-3H3;6-9H,1-5H3;5-8H,1-4H3,(H,13,14);6-8H,4-5H2,1-3H3;4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;5-7H,1-4H3;6-7H,1-5H3;5-7H,1-4H3;4-7H,11H2,1-3H3;2*5-6H,1-4H3;6H,1-5H3;6-7H,5H2,1-4H3;4-5,7H,1-3H3;2*5-6H,1-4H3;5-6H2,1-4H3;5H,1-4H3
InChIKeyLVTSAUUUDFDQDB-UHFFFAOYSA-N
MW3310.74 g/mol
LogP48.67
Rot. Bonds14

About 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine

3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 159470779) has the molecular formula C195H303F5N28O11 and a molecular weight of 3310.74 g/mol. Its IUPAC name is 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID159470779
Molecular FormulaC195H303F5N28O11
Molecular Weight3310.74 g/mol
Exact Mass3308.39
IUPAC Name3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCC(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)C1(C)COC1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1ccn(C(F)F)n1.CC(C)(C)c1cn2ccc(C(F)(F)F)cc2n1.CC(C)(C)c1cnc(C2CC2)nc1.CC(C)Oc1cc(C(C)(C)C)ccn1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1nc(C(C)(C)C)no1.CCn1nccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)n1.COc1cncc(C(C)(C)C)c1.COc1ncc(C(C)(C)C)cn1.COc1nccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C
InChIInChI=1S/C12H13F3N2.C12H19NO.C12H17NO.C11H16N2.C11H15NO.C11H16O.C11H16.C10H15NO.C10H17NO.C10H15NO.C10H15N.2C9H14N2O.C9H16N2O.C9H16N2.C8H12F2N2.2C8H14N2.C8H16O.C7H13N3/c1-11(2,3)9-7-17-5-4-8(12(13,14)15)6-10(17)16-9;1-9(2)14-11-8-10(6-7-13-11)12(3,4)5;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-11(2,3)9-6-12-10(13-7-9)8-4-5-8;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-9(12-4)7-11-6-8;1-7(2)9-11-8(6-12-9)10(3,4)5;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)8-5-4-6-9(11)7-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-10-8(11-7)12-4;1-6(2)7-10-8(11-12-7)9(3,4)5;1-5-11-8(6-7-10-11)9(2,3)4;1-8(2,3)6-4-5-12(11-6)7(9)10;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)8(4)5-9-6-8;1-7(2,3)6-9-8-5-10(6)4/h4-7H,1-3H3;6-9H,1-5H3;5-8H,1-4H3,(H,13,14);6-8H,4-5H2,1-3H3;4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;5-7H,1-4H3;6-7H,1-5H3;5-7H,1-4H3;4-7H,11H2,1-3H3;2*5-6H,1-4H3;6H,1-5H3;6-7H,5H2,1-4H3;4-5,7H,1-3H3;2*5-6H,1-4H3;5-6H2,1-4H3;5H,1-4H3
InChIKeyLVTSAUUUDFDQDB-UHFFFAOYSA-N
XLogP48.67
TPSA463.07 Ų
H-Bond Donors3
H-Bond Acceptors37
Rotatable Bonds14
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003310.74
LogP ≤ 548.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine 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

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
2-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-1-[3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylphenyl]ethanone;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;1-[3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methylphenyl]-2-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylphenyl]-2-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]ethanone
CID 157572711
N-[3-(2-anilinoimidazo[1,2-b]pyridazin-6-yl)oxyphenyl]-3-(trifluoromethyl)benzamide;tert-butyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[5-[2-(ethylcarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxy-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide;ethyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;N-[2-fluoro-5-[2-(methoxycarbamoylamino)imidazo[1,2-b]pyridazin-6-yl]oxyphenyl]-2,5-dimethylpyrazole-3-carboxamide;methyl N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]carbamate;4-methyl-N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
CID 157667604
CID 157687234
CID 157687234
4,5-dimethyl-1-phenylpyrazole;3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole;2-(4-fluorophenoxy)-3-methylpyridine;1-(4-fluorophenyl)-4,5-dimethylpyrazole;1-(4-fluorophenyl)-4-methyl-5-(trifluoromethyl)pyrazole;4-methoxy-1,3-dimethylindole;5-(4-methoxyphenyl)-3-methyl-1,2-oxazole;3-methyl-2-phenoxypyridine;5-methyl-2-phenoxypyridine;3-methyl-5-phenylpyridine;4-methyl-2-phenyl-5-(trifluoromethyl)-1,3-oxazole;4-methyl-1-phenyl-5-(trifluoromethyl)pyrazole;4-methyl-2-piperidin-1-ylpyridine;5-methyl-2-piperidin-1-ylpyridine;3-methyl-7-(trifluoromethyl)-1H-quinolin-4-one
CID 157815435
3-acetyl-1-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]pyrazole-5-carboxamide;N-[2-[2-(difluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;N-[2-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]-2-methyl-1,2,4-triazole-3-carboxamide;2-methyl-N-[1-methyl-2-[2-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridin-6-yl]-1,2,4-triazole-3-carboxamide;5-methyl-N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-2H-imidazole-4-carboxamide;N-[2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]furo[2,3-c]pyridine-5-carboxamide
CID 158232511
4-tert-butylbenzonitrile;3-tert-butyl-5-cyclopropyl-1,2,4-oxadiazole;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;1-tert-butyl-2-methoxybenzene;1-tert-butyl-4-methoxybenzene;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;5-tert-butyl-3-methyl-1,2,4-oxadiazole;(2R,4S)-2-tert-butyl-4-methyloxane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-1-propan-2-ylpyrazole;5-tert-butyl-2-propan-2-ylpyrimidine;1-tert-butyl-2-(trifluoromethyl)benzene
CID 158266410
N-[4-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methylbenzamide;4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-[2-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-pyridinyl]-3-(trifluoromethyl)benzamide;3-(2-imidazo[1,2-a]pyridin-3-ylethynyl)-4-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)-3-(trifluoromethyl)phenyl]benzamide;3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 158292908
2-[1-[(6-ethoxy-2-pyridinyl)methyl]indazol-4-yl]-1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[(6-propan-2-yl-2-pyridinyl)methyl]indazol-4-yl]ethanone;1-[7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-2-[1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]indazol-4-yl]ethanone;7-[2-(4-methylpiperazin-1-yl)ethoxy]-N-[1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 158469132
5-(1-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;5-(1-benzyl-5-ethyl-1,2,4-triazol-3-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[(2-ethyl-4-pyridinyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;3-[4-(1,1-difluoroethoxy)phenyl]-5-[1-[[2-(4-methoxybutyl)-4-pyridinyl]methyl]-5-methyl-1,2,4-triazol-3-yl]-1,2,4-oxadiazole;4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpyridin-2-amine;4-[3-[4-[[3-[3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-5-methyl-1,2,4-triazol-1-yl]methyl]-2-pyridinyl]propyl]morpholine;N-[2-(dimethylamino)ethyl]-3-[[5-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-triazol-1-yl]methyl]benzamide;methane;5-[5-methyl-1-[[2-(4-methylpiperidin-1-yl)pyridin-1-ium-4-yl]methyl]-1,2,4-triazol-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 158568748
CID 158569026
CID 158569026
CID 158759252
CID 158759252

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 159470779) is 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine is CC(=O)Nc1cccc(C(C)(C)C)c1.CC(C)(C)C1(C)COC1.CC(C)(C)c1ccc(C(N)=O)cc1.CC(C)(C)c1cccc(N)c1.CC(C)(C)c1ccn(C(F)F)n1.CC(C)(C)c1cn2ccc(C(F)(F)F)cc2n1.CC(C)(C)c1cnc(C2CC2)nc1.CC(C)Oc1cc(C(C)(C)C)ccn1.CC(C)c1nc(C(C)(C)C)co1.CC(C)c1nc(C(C)(C)C)no1.CCn1nccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)n1.COc1cncc(C(C)(C)C)c1.COc1ncc(C(C)(C)C)cn1.COc1nccc(C(C)(C)C)n1.Cc1ccccc1C(C)(C)C.Cn1cc(C(C)(C)C)cn1.Cn1cncc1C(C)(C)C.Cn1cnnc1C(C)(C)C.
What is the InChIKey of 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is LVTSAUUUDFDQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2.C12H19NO.C12H17NO.C11H16N2.C11H15NO.C11H16O.C11H16.C10H15NO.C10H17NO.C10H15NO.C10H15N.2C9H14N2O.C9H16N2O.C9H16N2.C8H12F2N2.2C8H14N2.C8H16O.C7H13N3/c1-11(2,3)9-7-17-5-4-8(12(13,14)15)6-10(17)16-9;1-9(2)14-11-8-10(6-7-13-11)12(3,4)5;1-9(14)13-11-7-5-6-10(8-11)12(2,3)4;1-11(2,3)9-6-12-10(13-7-9)8-4-5-8;1-11(2,3)9-6-4-8(5-7-9)10(12)13;1-11(2,3)9-5-7-10(12-4)8-6-9;1-9-7-5-6-8-10(9)11(2,3)4;1-10(2,3)8-5-9(12-4)7-11-6-8;1-7(2)9-11-8(6-12-9)10(3,4)5;1-10(2,3)8-6-5-7-9(11-8)12-4;1-10(2,3)8-5-4-6-9(11)7-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-9(2,3)7-5-6-10-8(11-7)12-4;1-6(2)7-10-8(11-12-7)9(3,4)5;1-5-11-8(6-7-10-11)9(2,3)4;1-8(2,3)6-4-5-12(11-6)7(9)10;1-8(2,3)7-5-9-6-10(7)4;1-8(2,3)7-5-9-10(4)6-7;1-7(2,3)8(4)5-9-6-8;1-7(2,3)6-9-8-5-10(6)4/h4-7H,1-3H3;6-9H,1-5H3;5-8H,1-4H3,(H,13,14);6-8H,4-5H2,1-3H3;4-7H,1-3H3,(H2,12,13);5-8H,1-4H3;5-8H,1-4H3;5-7H,1-4H3;6-7H,1-5H3;5-7H,1-4H3;4-7H,11H2,1-3H3;2*5-6H,1-4H3;6H,1-5H3;6-7H,5H2,1-4H3;4-5,7H,1-3H3;2*5-6H,1-4H3;5-6H2,1-4H3;5H,1-4H3.
What are the key properties of 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 3310.74 g/mol, XLogP of 48.67, 14 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylaniline;4-tert-butylbenzamide;5-tert-butyl-2-cyclopropylpyrimidine;3-tert-butyl-1-(difluoromethyl)pyrazole;5-tert-butyl-1-ethylpyrazole;1-tert-butyl-4-methoxybenzene;2-tert-butyl-6-methoxypyridine;3-tert-butyl-5-methoxypyridine;4-tert-butyl-2-methoxypyrimidine;5-tert-butyl-2-methoxypyrimidine;1-tert-butyl-2-methylbenzene;5-tert-butyl-1-methylimidazole;3-tert-butyl-3-methyloxetane;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;N-(3-tert-butylphenyl)acetamide;3-tert-butyl-5-propan-2-yl-1,2,4-oxadiazole;4-tert-butyl-2-propan-2-yl-1,3-oxazole;4-tert-butyl-2-propan-2-yloxypyridine;2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 159470779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).