ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)

C261H389N47O18S — CID 158026452

IUPACethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1[nH]nc2nc[nH]c(=O)c12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)CC(=O)O2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)COC2=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncnn2n1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nncn2n1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1ccnc2n[nH]nc12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cn2cnnc2cn1.CC(C)c1cn2ncnc2cn1.CC(C)c1cnc2ncnn2c1.CC(C)c1coc2cccnc12.CC(C)c1nc2cnccn2n1
InChIInChI=1S/2C11H12O2.C11H14O.2C11H12O.C10H11NO2.5C10H11NO.C10H11NS.C10H12O2.2C8H10N4O.8C8H10N4.23C2H6/c1-7(2)8-3-4-10-9(5-8)6-13-11(10)12;1-7(2)8-3-4-10-9(5-8)6-11(12)13-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-6-12-9-4-3-5-11-10(8)9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)6-3-12-4-9-11-7(12)8(13)10-6;1-4(2)6-5-7(12-11-6)9-3-10-8(5)13;1-6(2)7-4-12-5-10-11-8(12)3-9-7;1-6(2)7-4-12-8(3-9-7)10-5-11-12;1-6(2)7-3-9-8-10-5-11-12(8)4-7;1-6(2)8-10-7-5-9-3-4-12(7)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;1-6(2)7-3-4-8-9-5-10-12(8)11-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8;23*1-2/h2*3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3,(H,11,12);6*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H,10,13);3-4H,1-2H3,(H2,9,10,11,12,13);6*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);23*1-2H3
InChIKeyFGQUSVZZUIEZIA-UHFFFAOYSA-N
MW4505.36 g/mol
LogP72.92
Rot. Bonds23

About ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)

ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) (PubChem CID 158026452) has the molecular formula C261H389N47O18S and a molecular weight of 4505.36 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine).

Molecular Properties

Compound Nameethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
PubChem CID158026452
Molecular FormulaC261H389N47O18S
Molecular Weight4505.36 g/mol
Exact Mass4502.07
IUPAC Nameethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1[nH]nc2nc[nH]c(=O)c12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)CC(=O)O2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)COC2=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncnn2n1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nncn2n1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1ccnc2n[nH]nc12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cn2cnnc2cn1.CC(C)c1cn2ncnc2cn1.CC(C)c1cnc2ncnn2c1.CC(C)c1coc2cccnc12.CC(C)c1nc2cnccn2n1
InChIInChI=1S/2C11H12O2.C11H14O.2C11H12O.C10H11NO2.5C10H11NO.C10H11NS.C10H12O2.2C8H10N4O.8C8H10N4.23C2H6/c1-7(2)8-3-4-10-9(5-8)6-13-11(10)12;1-7(2)8-3-4-10-9(5-8)6-11(12)13-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-6-12-9-4-3-5-11-10(8)9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)6-3-12-4-9-11-7(12)8(13)10-6;1-4(2)6-5-7(12-11-6)9-3-10-8(5)13;1-6(2)7-4-12-5-10-11-8(12)3-9-7;1-6(2)7-4-12-8(3-9-7)10-5-11-12;1-6(2)7-3-9-8-10-5-11-12(8)4-7;1-6(2)8-10-7-5-9-3-4-12(7)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;1-6(2)7-3-4-8-9-5-10-12(8)11-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8;23*1-2/h2*3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3,(H,11,12);6*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H,10,13);3-4H,1-2H3,(H2,9,10,11,12,13);6*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);23*1-2H3
InChIKeyFGQUSVZZUIEZIA-UHFFFAOYSA-N
XLogP72.92
TPSA800.49 Ų
H-Bond Donors6
H-Bond Acceptors60
Rotatable Bonds23
Heavy Atoms327
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004505.36
LogP ≤ 572.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1060

Analyze ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]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

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;4-tert-butyl-3-methyl-1,2-benzoxazole;4-tert-butyl-5-methyl-1H-indazole;8-tert-butylquinazoline;4-tert-butylquinoline
CID 157427896
CID 157666670
CID 157666670
CID 158395365
CID 158395365
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-1,2-benzoxazol-3-amine;5-tert-butyl-1,3-benzoxazol-2-amine;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;7-tert-butyl-1H-indazole;4-tert-butyl-5-methoxy-1H-indazole;8-tert-butyl-2-methylidene-1H-quinoline;3-tert-butyl-1-methylindazole;5-tert-butyl-1,2,3,4-tetrahydroquinoline
CID 160093919
2,2-difluoro-5-(2-methylpropyl)-1,3-benzodioxole;2-methyl-5-(2-methylpropyl)-1,3-benzothiazole;2-methyl-5-(2-methylpropyl)-1,3-benzoxazole;2-methyl-6-(2-methylpropyl)-1,3-benzoxazole;3-methyl-5-(2-methylpropyl)-1,2-benzoxazole;3-methyl-6-(2-methylpropyl)-1,2-benzoxazole;3-methyl-5-(2-methylpropyl)-1,3-benzoxazol-2-one;N-methyl-7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;5-(2-methylpropyl)-2,1,3-benzothiadiazole;5-(2-methylpropyl)-2,1,3-benzoxadiazole;5-(2-methylpropyl)-1,3-benzoxazole;6-(2-methylpropyl)-1,3-benzoxazole;5-(2-methylpropyl)-2,3-dihydro-1H-indene;7-(2-methylpropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide;1-[7-(2-methylpropyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone;5-(2-methylpropyl)-1H-indazole
CID 160290805
2,2-difluoro-4,7-di(propan-2-yl)-1,3-benzodioxole;3,3-difluoro-4,7-di(propan-2-yl)-2H-1-benzofuran;1,1-dimethyl-4,7-di(propan-2-yl)-2,3-dihydro-1-benzosilole;4,7-di(propan-2-yl)-1,2-benzothiazole;4,7-di(propan-2-yl)-1,3-benzothiazole;4,7-di(propan-2-yl)-1,2-benzoxazole;4,7-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)bicyclo[4.2.0]octa-1,3,5-triene;4,7-di(propan-2-yl)-2,3-dihydro-1-benzofuran;4,7-di(propan-2-yl)-2,3-dihydrofuro[2,3-c]pyridine;4,7-di(propan-2-yl)-2,3-dihydrofuro[3,2-c]pyridine;4,7-di(propan-2-yl)furo[3,2-c]pyridine;2,5-di(propan-2-yl)pyrazine;3,6-di(propan-2-yl)pyridazine;4,7-di(propan-2-yl)-1H-pyrrolo[3,2-c]pyridine;3,6-di(propan-2-yl)-1,2,4-triazine;methane;3-methoxy-2,5-di(propan-2-yl)pyrazine;4-methoxy-3,6-di(propan-2-yl)pyridazine;5-methoxy-3,6-di(propan-2-yl)-1,2,4-triazine;1-methyl-4,7-di(propan-2-yl)benzimidazole;1-methyl-4,7-di(propan-2-yl)benzotriazole
CID 160500598
CID 161727242
CID 161727242
1-(2,2-difluoropropyl)-5-propan-2-ylpyrazole;1,6-dimethyl-4-propan-2-ylpyrazolo[3,4-b]pyridine;1-ethoxy-2-propan-2-ylbenzene;1-ethyl-3-methyl-5-propan-2-ylpyrazole;1-ethyl-5-methyl-3-propan-2-ylpyrazole;3-ethyl-1-methyl-5-propan-2-ylpyrazole;5-ethyl-4-propan-2-yl-1,3-oxazole;2-ethyl-5-propan-2-ylthiophene;1-(1-fluoroethyl)-3-methyl-5-propan-2-ylpyrazole;3-(furan-2-yl)-5-propan-2-yl-1H-pyrazole;4-methoxy-1-methyl-2-propan-2-ylbenzene;2-methoxy-6-propan-2-ylphenol;5-methyl-2-propan-2-yl-1H-imidazole;3-methyl-5-propan-2-yl-1,2-oxazole;3-methyl-6-propan-2-ylpyridazine;3-methyl-4-propan-2-ylpyridine;2-methyl-3-propan-2-yl-4,5,6,7-tetrahydroindazole;7-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-ylpyridine;3-propan-2-yl-2,4,5,6-tetrahydrocyclopenta[c]pyrrole;5-propan-2-yl-1,3-thiazole
CID 162282014
2,2-difluoro-5-propan-2-yl-1,3-benzodioxole;8-fluoro-6-propan-2-ylquinoline;1-hydroxy-5-propan-2-yl-3H-2,1-benzoxaborole;1-hydroxy-6-propan-2-yl-3H-2,1-benzoxaborole;1-methoxy-3-propan-2-ylbenzene;1-methyl-5-propan-2-ylindazole;2-methyl-5-propan-2-ylindazole;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-2H-benzotriazole;6-propan-2-yl-1,2-benzoxazol-3-amine;6-propan-2-yl-1,3-benzoxazol-2-amine;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-8-(trifluoromethyl)quinoline;6-propan-2-yl-8-(trifluoromethyl)quinoline
CID 167552124
2-[10a-benzo[a]thianthren-1-yl-8-(1,3-benzodioxol-2-yl)-1-[3-(1-benzofuran-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-7-(1H-pyrrol-2-yl)-2-thiophen-2-ylphenazin-1-yl]-10-(1,2,3-benzothiadiazol-4-yl)-9a-(1,3-benzothiazol-2-yl)-9-(1H-benzotriazol-4-yl)-2-(9H-carbazol-1-yl)-7-(2,3-dihydro-1,4-benzodioxin-3-yl)-5-(1H-imidazol-2-yl)-9-(1H-indazol-3-yl)-7-indolizin-1-yl-4-isoquinolin-1-yl-3-(1,2-oxazol-3-yl)-6-phthalazin-1-yl-8-(7H-purin-2-yl)-5-(2H-pyran-2-yl)-5-pyrazin-2-yl-5a-(1H-pyrazol-3-yl)-1-pyridazin-3-yl-2-pyridin-2-yl-5-pyrimidin-2-yl-3-quinazolin-2-yl-6-quinolin-2-yl-4a-(1,3-thiazol-2-yl)phenothiazin-4-yl]-1,3-oxazole
CID 141224057
1,7a-dihydro-2,1,3-benzothiadiazole;1,2,3,5,6,7,8,8a-octahydroindolizine;1-azabicyclo[3.3.1]nonane;8-azabicyclo[3.2.1]octane;1-benzofuran;1-benzothiophene;2H-benzotriazole;10H-chromeno[3,2-b]pyridine;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;furan;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;bis(5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline);1,2,3,4-tetrahydroisoquinoline;1,2,4,5-tetrazine;2H-tetrazole;1,2,4-thiadiazole;1,2,5-thiadiazole;bis(1,3,4-thiadiazole);1,2-thiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;bis(1H-1,2,4-triazole);2H-triazole
CID 157062903
tert-butylbenzene;2-tert-butyl-1,3-benzothiazole;2-tert-butyl-1,3-benzoxazole;2-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;2-tert-butylfuran;2-tert-butylimidazo[1,2-a]pyridine;2-tert-butylimidazo[1,2-b]pyridazine;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;4-tert-butyloxane;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butyloxolane;2-tert-butylpyrazine;5-tert-butyl-1H-pyrazole;2-tert-butylpyrazolo[1,5-a]pyridine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;4-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;4-methyl-1H-pyrazole;2-methylpyrazolo[1,5-a]pyridine
CID 157085631

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
The IUPAC name of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) (CID 158026452) is ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine).
What is the SMILES notation for ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
The canonical SMILES for ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1[nH]nc2nc[nH]c(=O)c12.CC(C)c1cc2ccccc2o1.CC(C)c1ccc2[nH]c(=O)oc2c1.CC(C)c1ccc2c(c1)CC(=O)O2.CC(C)c1ccc2c(c1)CCO2.CC(C)c1ccc2c(c1)COC2=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncnn2n1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2nncn2n1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1ccnc2n[nH]nc12.CC(C)c1ccnc2n[nH]nc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cn2cnnc2cn1.CC(C)c1cn2ncnc2cn1.CC(C)c1cnc2ncnn2c1.CC(C)c1coc2cccnc12.CC(C)c1nc2cnccn2n1.
What is the InChIKey of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
The InChIKey is FGQUSVZZUIEZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12O2.C11H14O.2C11H12O.C10H11NO2.5C10H11NO.C10H11NS.C10H12O2.2C8H10N4O.8C8H10N4.23C2H6/c1-7(2)8-3-4-10-9(5-8)6-13-11(10)12;1-7(2)8-3-4-10-9(5-8)6-11(12)13-10;2*1-8(2)9-3-4-11-10(7-9)5-6-12-11;1-8(2)11-7-9-5-3-4-6-10(9)12-11;1-6(2)7-3-4-8-9(5-7)13-10(12)11-8;1-7(2)8-3-4-10-9(5-8)11-6-12-10;1-7(2)8-3-4-10-9(5-8)6-11-12-10;2*1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)8-6-12-9-4-3-5-11-10(8)9;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)6-3-12-4-9-11-7(12)8(13)10-6;1-4(2)6-5-7(12-11-6)9-3-10-8(5)13;1-6(2)7-4-12-5-10-11-8(12)3-9-7;1-6(2)7-4-12-8(3-9-7)10-5-11-12;1-6(2)7-3-9-8-10-5-11-12(8)4-7;1-6(2)8-10-7-5-9-3-4-12(7)11-8;1-6(2)7-3-4-8-10-9-5-12(8)11-7;1-6(2)7-3-4-8-9-5-10-12(8)11-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8;23*1-2/h2*3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3,(H,11,12);6*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H,10,13);3-4H,1-2H3,(H2,9,10,11,12,13);6*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);23*1-2H3.
What are the key properties of ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)?
ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) has a molecular weight of 4505.36 g/mol, XLogP of 72.92, 23 rotatable bonds, 6 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1-benzofuran;5-propan-2-yl-1-benzofuran;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,2-benzoxazole);6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrazine;6-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;6-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine;6-propan-2-yl-[1,2,4]triazolo[1,5-b]pyridazine;6-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine) is sourced from PubChem (CID 158026452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).