3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole

C194H320F4N16O13 — CID 158871200

IUPAC3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
SMILESCC(C)(C)C1CCOCC1.CC(C)(C)C1CCOc2ccc(F)cc21.CC(C)(C)C1COc2ccccc21.CC(C)(C)CC1CCCO1.CC(C)(C)CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CC1CCOCC1.CC(C)(C)Cc1ccc2c(c1)OCO2.CC(C)(C)Cc1cccc2c1OCCCO2.CC(C)(C)Cc1cccc2c1OCCO2.CC(C)(C)c1nccc(C(F)(F)F)n1.CC(C)C1=CC=NC1.CC(C)c1ccnn1C.CN1CCCCC1CC(C)(C)C.Cc1cc(CC(C)(C)C)n(C)n1.Cn1cncc1CC(C)(C)C.Cn1nc(-c2ccccc2)cc1CC(C)(C)C.Cn1nccc1CC(C)(C)C
InChIInChI=1S/C15H20N2.C15H29NO2.C14H20O2.C13H17FO.C13H18O2.C12H16O2.C12H16O.C11H23N.C10H18N2.C10H21N.C10H20O.C9H11F3N2.2C9H16N2.2C9H18O.C7H12N2.C7H11N/c1-15(2,3)11-13-10-14(16-17(13)4)12-8-6-5-7-9-12;1-14(2,3)11-12-7-9-16(10-8-12)13(17)18-15(4,5)6;1-14(2,3)10-11-6-4-7-12-13(11)16-9-5-8-15-12;1-13(2,3)11-6-7-15-12-5-4-9(14)8-10(11)12;1-13(2,3)9-10-5-4-6-11-12(10)15-8-7-14-11;1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-10-7-5-6-8-12(10)4;1-8-6-9(12(5)11-8)7-10(2,3)4;2*1-10(2,3)8-9-4-6-11-7-5-9;1-8(2,3)7-13-5-4-6(14-7)9(10,11)12;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)7-8-5-6-10-11(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)7-8-5-4-6-10-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7/h5-10H,11H2,1-4H3;12H,7-11H2,1-6H3;4,6-7H,5,8-10H2,1-3H3;4-5,8,11H,6-7H2,1-3H3;4-6H,7-9H2,1-3H3;4-6H,7-8H2,1-3H3;4-7,10H,8H2,1-3H3;10H,5-9H2,1-4H3;6H,7H2,1-5H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;4-5H,1-3H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;2*8H,4-7H2,1-3H3;4-6H,1-3H3;3-4,6H,5H2,1-2H3
InChIKeyJBWDLJRMOPCFDK-UHFFFAOYSA-N
MW3160.78 g/mol
LogP49.74
Rot. Bonds15

About 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole

3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole (PubChem CID 158871200) has the molecular formula C194H320F4N16O13 and a molecular weight of 3160.78 g/mol. Its IUPAC name is 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
PubChem CID158871200
Molecular FormulaC194H320F4N16O13
Molecular Weight3160.78 g/mol
Exact Mass3158.48
IUPAC Name3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
SMILESCC(C)(C)C1CCOCC1.CC(C)(C)C1CCOc2ccc(F)cc21.CC(C)(C)C1COc2ccccc21.CC(C)(C)CC1CCCO1.CC(C)(C)CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CC1CCOCC1.CC(C)(C)Cc1ccc2c(c1)OCO2.CC(C)(C)Cc1cccc2c1OCCCO2.CC(C)(C)Cc1cccc2c1OCCO2.CC(C)(C)c1nccc(C(F)(F)F)n1.CC(C)C1=CC=NC1.CC(C)c1ccnn1C.CN1CCCCC1CC(C)(C)C.Cc1cc(CC(C)(C)C)n(C)n1.Cn1cncc1CC(C)(C)C.Cn1nc(-c2ccccc2)cc1CC(C)(C)C.Cn1nccc1CC(C)(C)C
InChIInChI=1S/C15H20N2.C15H29NO2.C14H20O2.C13H17FO.C13H18O2.C12H16O2.C12H16O.C11H23N.C10H18N2.C10H21N.C10H20O.C9H11F3N2.2C9H16N2.2C9H18O.C7H12N2.C7H11N/c1-15(2,3)11-13-10-14(16-17(13)4)12-8-6-5-7-9-12;1-14(2,3)11-12-7-9-16(10-8-12)13(17)18-15(4,5)6;1-14(2,3)10-11-6-4-7-12-13(11)16-9-5-8-15-12;1-13(2,3)11-6-7-15-12-5-4-9(14)8-10(11)12;1-13(2,3)9-10-5-4-6-11-12(10)15-8-7-14-11;1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-10-7-5-6-8-12(10)4;1-8-6-9(12(5)11-8)7-10(2,3)4;2*1-10(2,3)8-9-4-6-11-7-5-9;1-8(2,3)7-13-5-4-6(14-7)9(10,11)12;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)7-8-5-6-10-11(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)7-8-5-4-6-10-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7/h5-10H,11H2,1-4H3;12H,7-11H2,1-6H3;4,6-7H,5,8-10H2,1-3H3;4-5,8,11H,6-7H2,1-3H3;4-6H,7-9H2,1-3H3;4-6H,7-8H2,1-3H3;4-7,10H,8H2,1-3H3;10H,5-9H2,1-4H3;6H,7H2,1-5H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;4-5H,1-3H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;2*8H,4-7H2,1-3H3;4-6H,1-3H3;3-4,6H,5H2,1-2H3
InChIKeyJBWDLJRMOPCFDK-UHFFFAOYSA-N
XLogP49.74
TPSA273.58 Ų
H-Bond Donors1
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms227
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003160.78
LogP ≤ 549.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1028

Analyze 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole with MolForge

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Related Compounds

4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-tert-butyl-2-methyl-3a,4,5,6-tetrahydrocyclopenta[b]pyrrole;6-tert-butyl-1-methyl-2,4-dihydropyrido[2,3-d][1,3]oxazine;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;octakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 157623029
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;octakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline
CID 158456173
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;octakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 158830231
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-[1-(1-fluoroethyl)pyrazol-4-yl]-4-[4-[4-(4-methoxy-3-methylphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-methyl-3H-pyrrol-2-yl]-4-methylpiperidin-1-yl]-6-(6-methoxy-3-pyridinyl)-7H-cyclopenta[d]pyrimidine;6-(2-methoxy-4-pyridinyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159241762
4-[4-[4-(1,3-benzodioxol-5-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[4-(4-ethoxy-3-methylphenyl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;6-(4-methylphenyl)-4-[4-[4-(4-methylphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 159600755
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;octakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline
CID 167539672
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;6,8-dihydro-5H-pyrano[3,4-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;octakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline
CID 167581563
2-(2,2-difluoro-1,3-benzodioxol-4-yl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-ethylphenyl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(4-propan-2-ylpyrimidin-5-yl)-7-[(4-pyrazol-1-ylphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167632185
N-(1,3-benzodioxol-4-ylmethyl)-8-(2,5-dimethylpyrazol-3-yl)-2-methylimidazo[1,2-c]pyrimidin-5-amine;8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine;N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methyl-8-(5-methyl-1-propan-2-ylpyrazol-4-yl)imidazo[1,2-c]pyrimidin-5-amine
CID 157764508
3-tert-butyl-2,3-dihydro-1-benzofuran;1-tert-butyl-2,3-dihydro-1H-indene;2-tert-butyl-2,3-dihydro-1H-indene;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole
CID 157775718
3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine
CID 158309609
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;1-tert-butyl-2,3-difluorobenzene;2-tert-butyl-1,3-difluorobenzene;4-tert-butyl-2-(difluoromethyl)-1-methylbenzene;3-tert-butyl-2,3-dihydro-1-benzofuran;2-tert-butyl-3,4-dihydro-2H-chromene;3-tert-butyl-2,3-dihydro-1H-indole;1-(3-tert-butyl-2,3-dihydroindol-1-yl)ethanone;bis(1-tert-butyl-2-fluorobenzene);1-tert-butyl-3-fluorobenzene;2-tert-butyl-1-fluoro-3-methoxybenzene;1-tert-butyl-3-fluoro-5-methylbenzene;1-tert-butyl-2-methoxybenzene;1-tert-butyl-3-methoxybenzene;(4-tert-butylphenyl) acetate;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;5-tert-butylpyrimidine;1-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 159230348

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole?
The IUPAC name of 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole (CID 158871200) is 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole?
The canonical SMILES for 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole is CC(C)(C)C1CCOCC1.CC(C)(C)C1CCOc2ccc(F)cc21.CC(C)(C)C1COc2ccccc21.CC(C)(C)CC1CCCO1.CC(C)(C)CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CC1CCOCC1.CC(C)(C)Cc1ccc2c(c1)OCO2.CC(C)(C)Cc1cccc2c1OCCCO2.CC(C)(C)Cc1cccc2c1OCCO2.CC(C)(C)c1nccc(C(F)(F)F)n1.CC(C)C1=CC=NC1.CC(C)c1ccnn1C.CN1CCCCC1CC(C)(C)C.Cc1cc(CC(C)(C)C)n(C)n1.Cn1cncc1CC(C)(C)C.Cn1nc(-c2ccccc2)cc1CC(C)(C)C.Cn1nccc1CC(C)(C)C.
What is the InChIKey of 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole?
The InChIKey is JBWDLJRMOPCFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2.C15H29NO2.C14H20O2.C13H17FO.C13H18O2.C12H16O2.C12H16O.C11H23N.C10H18N2.C10H21N.C10H20O.C9H11F3N2.2C9H16N2.2C9H18O.C7H12N2.C7H11N/c1-15(2,3)11-13-10-14(16-17(13)4)12-8-6-5-7-9-12;1-14(2,3)11-12-7-9-16(10-8-12)13(17)18-15(4,5)6;1-14(2,3)10-11-6-4-7-12-13(11)16-9-5-8-15-12;1-13(2,3)11-6-7-15-12-5-4-9(14)8-10(11)12;1-13(2,3)9-10-5-4-6-11-12(10)15-8-7-14-11;1-12(2,3)7-9-4-5-10-11(6-9)14-8-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)9-10-7-5-6-8-12(10)4;1-8-6-9(12(5)11-8)7-10(2,3)4;2*1-10(2,3)8-9-4-6-11-7-5-9;1-8(2,3)7-13-5-4-6(14-7)9(10,11)12;1-9(2,3)5-8-6-10-7-11(8)4;1-9(2,3)7-8-5-6-10-11(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)7-8-5-4-6-10-8;1-6(2)7-4-5-8-9(7)3;1-6(2)7-3-4-8-5-7/h5-10H,11H2,1-4H3;12H,7-11H2,1-6H3;4,6-7H,5,8-10H2,1-3H3;4-5,8,11H,6-7H2,1-3H3;4-6H,7-9H2,1-3H3;4-6H,7-8H2,1-3H3;4-7,10H,8H2,1-3H3;10H,5-9H2,1-4H3;6H,7H2,1-5H3;9,11H,4-8H2,1-3H3;9H,4-8H2,1-3H3;4-5H,1-3H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3;2*8H,4-7H2,1-3H3;4-6H,1-3H3;3-4,6H,5H2,1-2H3.
What are the key properties of 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole?
3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole has a molecular weight of 3160.78 g/mol, XLogP of 49.74, 15 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2,3-dihydro-1-benzofuran;tert-butyl 4-(2,2-dimethylpropyl)piperidine-1-carboxylate;4-tert-butyl-6-fluoro-3,4-dihydro-2H-chromene;4-tert-butyloxane;2-tert-butyl-4-(trifluoromethyl)pyrimidine;5-(2,2-dimethylpropyl)-1,3-benzodioxole;6-(2,2-dimethylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine;5-(2,2-dimethylpropyl)-2,3-dihydro-1,4-benzodioxine;5-(2,2-dimethylpropyl)-1,3-dimethylpyrazole;5-(2,2-dimethylpropyl)-1-methylimidazole;5-(2,2-dimethylpropyl)-1-methyl-3-phenylpyrazole;2-(2,2-dimethylpropyl)-1-methylpiperidine;5-(2,2-dimethylpropyl)-1-methylpyrazole;4-(2,2-dimethylpropyl)oxane;2-(2,2-dimethylpropyl)oxolane;4-(2,2-dimethylpropyl)piperidine;1-methyl-5-propan-2-ylpyrazole;3-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 158871200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).