About 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 159299120) has the molecular formula C190H253F5N24O11S3
and a molecular weight of 3240.46 g/mol. Its IUPAC name is 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol.
Frequently Asked Questions
What is the IUPAC name of 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol (CID 159299120) is 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol is CC(=O)c1c(C)noc1C(C)(C)C.CC(C)(C)C12CCCC1C2.CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2C=NC=C21.CC(C)(C)c1ccn(C2CCCC2=O)n1.CC(C)(C)c1nc2ccc(F)c(F)c2n1C1CCCC1.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CC1(F)Oc2cc(F)c(C(C)(C)C)cc2O1.CC1CC1c1cc(C(C)(C)C)on1.COc1ccn2ccc(C(C)(C)C)c2c1.CS(=O)c1ccc2c(C(C)(C)C)ccnc2c1.Cc1ccc(-c2nc3c(s2)C(C(C)(C)C)CCC3)cc1.Cc1ccc2c(C(C)(C)C)cnn2c1.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1.
What is the InChIKey of 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is LBCILDLQCNCMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NS.C16H20F2N2.C16H16FN3.C14H17NOS.C14H20O.C13H17N3S.C13H17NO.C12H14F2O2.C12H18N2O.C12H16N2.C11H17NO.C10H13N3.C10H15NO2.C10H18.C9H12N4O2/c1-12-8-10-13(11-9-12)17-19-15-7-5-6-14(16(15)20-17)18(2,3)4;1-16(2,3)15-19-12-9-8-11(17)13(18)14(12)20(15)10-6-4-5-7-10;1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-14(2,3)12-7-8-15-13-9-10(17(4)16)5-6-11(12)13;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-13(2,3)11-6-8-14-7-5-10(15-4)9-12(11)14;1-11(2,3)7-5-9-10(6-8(7)13)16-12(4,14)15-9;1-12(2,3)11-7-8-14(13-11)9-5-4-6-10(9)15;1-9-5-6-11-10(12(2,3)4)7-13-14(11)8-9;1-7-5-8(7)9-6-10(13-12-9)11(2,3)4;1-10(2,3)9-7-4-11-5-8(7)12-6-13-9;1-6-8(7(2)12)9(13-11-6)10(3,4)5;1-9(2,3)10-6-4-5-8(10)7-10;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6/h8-11,14H,5-7H2,1-4H3;8-10H,4-7H2,1-3H3;4-9,19H,1-3H3;5-9H,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;5-9H,1-4H3;5-6H,1-4H3;7-9H,4-6H2,1-3H3;5-8H,1-4H3;6-8H,5H2,1-4H3;4-6,9H,1-3H3;1-5H3;8H,4-7H2,1-3H3;1-4H3.
What are the key properties of 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol?
1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 3240.46 g/mol, XLogP of 49.06, 10 rotatable bonds, 2 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbicyclo[3.1.0]hexane;2-tert-butyl-1-cyclopentyl-6,7-difluorobenzimidazole;5-tert-butyl-2,6-difluoro-2-methyl-1,3-benzodioxole;1-tert-butyl-7-methoxyindolizine;5-tert-butyl-3-(2-methylcyclopropyl)-1,2-oxazole;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;1-(5-tert-butyl-3-methyl-1,2-oxazol-4-yl)ethanone;7-tert-butyl-2-(4-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole;3-tert-butyl-6-methylpyrazolo[1,5-a]pyridine;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;4-tert-butyl-7-methylsulfinylquinoline;2-(3-tert-butylpyrazol-1-yl)cyclopentan-1-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;4-tert-butyl-4H-pyrrolo[3,4-d]pyrimidine;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 159299120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).