3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine

C295H366F10N42O21S7 — CID 158162477

IUPAC3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
SMILESCC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)cn1.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncsc12.CC(C)c1ccccc1F.CC(C)c1cccnn1.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C.Cc1cc(C)n(-c2ncc(C(C)C)cn2)n1.Cc1noc(C)c1-c1ncc(C(C)C)cn1
InChIInChI=1S/C13H15NO.C12H16N4.C12H15N3O.C12H18N2O2S.2C12H13N.C12H14.C11H14N2O2S.C11H14N2.C11H13N.C10H10F4O.C10H14N2O.3C10H12N2.C10H15NO2S.C10H11NO2.C10H11NS.C9H10F3NO.C9H9FN2.2C9H11F.2C9H12N2O.C9H10N2.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-8(2)11-6-13-12(14-7-11)16-10(4)5-9(3)15-16;1-7(2)10-5-13-12(14-6-10)11-8(3)15-16-9(11)4;1-10(2)11-3-4-12(13-9-11)14-5-7-17(15,16)8-6-14;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-6(2)9-8(10)3-7(4-11)5-12-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(5-11-8)9(10)12;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;3-4,9-10H,5-8H2,1-2H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-6H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);2*3-7H,1-2H3,(H,11,12);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3;3-6H,1-2H3;3,5-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3
InChIKeyFWLCMXKIAWKRDF-UHFFFAOYSA-N
MW5250.90 g/mol
LogP70.67
Rot. Bonds44

About 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine

3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine (PubChem CID 158162477) has the molecular formula C295H366F10N42O21S7 and a molecular weight of 5250.90 g/mol. Its IUPAC name is 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
PubChem CID158162477
Molecular FormulaC295H366F10N42O21S7
Molecular Weight5250.90 g/mol
Exact Mass5246.67
IUPAC Name3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine
SMILESCC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)cn1.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncsc12.CC(C)c1ccccc1F.CC(C)c1cccnn1.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C.Cc1cc(C)n(-c2ncc(C(C)C)cn2)n1.Cc1noc(C)c1-c1ncc(C(C)C)cn1
InChIInChI=1S/C13H15NO.C12H16N4.C12H15N3O.C12H18N2O2S.2C12H13N.C12H14.C11H14N2O2S.C11H14N2.C11H13N.C10H10F4O.C10H14N2O.3C10H12N2.C10H15NO2S.C10H11NO2.C10H11NS.C9H10F3NO.C9H9FN2.2C9H11F.2C9H12N2O.C9H10N2.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-8(2)11-6-13-12(14-7-11)16-10(4)5-9(3)15-16;1-7(2)10-5-13-12(14-6-10)11-8(3)15-16-9(11)4;1-10(2)11-3-4-12(13-9-11)14-5-7-17(15,16)8-6-14;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-6(2)9-8(10)3-7(4-11)5-12-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(5-11-8)9(10)12;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;3-4,9-10H,5-8H2,1-2H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-6H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);2*3-7H,1-2H3,(H,11,12);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3;3-6H,1-2H3;3,5-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3
InChIKeyFWLCMXKIAWKRDF-UHFFFAOYSA-N
XLogP70.67
TPSA918.51 Ų
H-Bond Donors7
H-Bond Acceptors57
Rotatable Bonds44
Heavy Atoms375
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005250.90
LogP ≤ 570.67
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1057

Analyze 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
The IUPAC name of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine (CID 158162477) is 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine is CC(=O)n1ccc2c(C(C)C)cccc21.CC(C)C1=CCc2ccccc21.CC(C)c1ccc(C#N)cn1.CC(C)c1ccc(C(N)=O)cn1.CC(C)c1ccc(C(N)=O)nc1.CC(C)c1ccc(F)cc1.CC(C)c1ccc(N2CCS(=O)(=O)CC2)nc1.CC(C)c1ccc(OC(F)(F)F)cc1F.CC(C)c1ccc(OC(F)(F)F)cn1.CC(C)c1ccc(S(C)(=O)=O)cn1.CC(C)c1ccc(S(C)(=O)=O)nc1.CC(C)c1cccc2[nH]c(=O)oc12.CC(C)c1cccc2[nH]ccc12.CC(C)c1cccc2cnccc12.CC(C)c1cccc2ncsc12.CC(C)c1ccccc1F.CC(C)c1cccnn1.CC(C)c1ccnc2[nH]ccc12.CC(C)c1ccnc2c1ccn2C.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1cnc2c(ccn2S(C)(=O)=O)c1.CC(C)c1cncc2ccccc12.CC(C)c1cnccc1CC(N)=O.CC(C)c1cnccc1CS(C)(=O)=O.CC(C)c1cnccc1S(C)(=O)=O.CC(C)c1ncc(C#N)cc1F.Cc1cc(C#N)cnc1C(C)C.Cc1cc(C)n(-c2ncc(C(C)C)cn2)n1.Cc1noc(C)c1-c1ncc(C(C)C)cn1.
What is the InChIKey of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
The InChIKey is FWLCMXKIAWKRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C12H16N4.C12H15N3O.C12H18N2O2S.2C12H13N.C12H14.C11H14N2O2S.C11H14N2.C11H13N.C10H10F4O.C10H14N2O.3C10H12N2.C10H15NO2S.C10H11NO2.C10H11NS.C9H10F3NO.C9H9FN2.2C9H11F.2C9H12N2O.C9H10N2.3C9H13NO2S.C7H10N2/c1-9(2)11-5-4-6-13-12(11)7-8-14(13)10(3)15;1-8(2)11-6-13-12(14-7-11)16-10(4)5-9(3)15-16;1-7(2)10-5-13-12(14-6-10)11-8(3)15-16-9(11)4;1-10(2)11-3-4-12(13-9-11)14-5-7-17(15,16)8-6-14;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-9(2)12-8-13-7-10-5-3-4-6-11(10)12;1-9(2)11-8-7-10-5-3-4-6-12(10)11;1-8(2)10-6-9-4-5-13(16(3,14)15)11(9)12-7-10;1-8(2)9-4-6-12-11-10(9)5-7-13(11)3;1-8(2)9-4-3-5-11-10(9)6-7-12-11;1-6(2)8-4-3-7(5-9(8)11)15-10(12,13)14;1-7(2)9-6-12-4-3-8(9)5-10(11)13;1-7(2)8-3-5-11-10-9(8)4-6-12-10;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)10-8(3)4-9(5-11)6-12-10;1-8(2)10-6-11-5-4-9(10)7-14(3,12)13;1-6(2)7-4-3-5-8-9(7)13-10(12)11-8;1-7(2)8-4-3-5-9-10(8)12-6-11-9;1-6(2)8-4-3-7(5-13-8)14-9(10,11)12;1-6(2)9-8(10)3-7(4-11)5-12-9;1-7(2)8-3-5-9(10)6-4-8;1-7(2)8-5-3-4-6-9(8)10;1-6(2)8-4-3-7(5-11-8)9(10)12;1-6(2)7-3-4-8(9(10)12)11-5-7;1-7(2)9-4-3-8(5-10)6-11-9;1-7(2)8-6-10-5-4-9(8)13(3,11)12;1-7(2)9-5-4-8(6-10-9)13(3,11)12;1-7(2)8-4-5-9(10-6-8)13(3,11)12;1-6(2)7-4-3-5-8-9-7/h4-9H,1-3H3;5-8H,1-4H3;5-7H,1-4H3;3-4,9-10H,5-8H2,1-2H3;2*3-9H,1-2H3;3-6,8-9H,7H2,1-2H3;4-8H,1-3H3;4-8H,1-3H3;3-8,12H,1-2H3;3-6H,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,11,13);2*3-7H,1-2H3,(H,11,12);4,6-7H,1-3H3;4-6,8H,7H2,1-3H3;3-6H,1-2H3,(H,11,12);3-7H,1-2H3;3-6H,1-2H3;3,5-6H,1-2H3;2*3-7H,1-2H3;2*3-6H,1-2H3,(H2,10,12);3-4,6-7H,1-2H3;3*4-7H,1-3H3;3-6H,1-2H3.
What are the key properties of 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine?
3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine has a molecular weight of 5250.90 g/mol, XLogP of 70.67, 44 rotatable bonds, 7 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(5-propan-2-ylpyrimidin-2-yl)-1,2-oxazole;2-(3,5-dimethylpyrazol-1-yl)-5-propan-2-ylpyrimidine;1-fluoro-2-propan-2-ylbenzene;1-fluoro-4-propan-2-ylbenzene;5-fluoro-6-propan-2-ylpyridine-3-carbonitrile;2-fluoro-1-propan-2-yl-4-(trifluoromethoxy)benzene;5-methyl-6-propan-2-ylpyridine-3-carbonitrile;1-methyl-4-propan-2-ylpyrrolo[2,3-b]pyridine;4-(methylsulfonylmethyl)-3-propan-2-ylpyridine;2-methylsulfonyl-5-propan-2-ylpyridine;4-methylsulfonyl-3-propan-2-ylpyridine;5-methylsulfonyl-2-propan-2-ylpyridine;1-methylsulfonyl-5-propan-2-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;1-(4-propan-2-ylindol-1-yl)ethanone;4-propan-2-ylisoquinoline;5-propan-2-ylisoquinoline;3-propan-2-ylpyridazine;6-propan-2-ylpyridine-3-carbonitrile;5-propan-2-ylpyridine-2-carboxamide;6-propan-2-ylpyridine-3-carboxamide;2-(3-propan-2-yl-4-pyridinyl)acetamide;4-(5-propan-2-yl-2-pyridinyl)-1,4-thiazinane 1,1-dioxide;4-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 158162477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).