3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

C240H353N21O20S5 — CID 158857555

IUPAC3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1coc2cccnc12.CC(C)c1cc2c(s1)CNCC2.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)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2n1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccnc2cnoc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C11H13NO.2C11H12O2.C11H14O.2C11H12O.C10H11NO2.4C10H11NO.C10H15NS.2C10H11NS.C10H12O2.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.C8H10N4O.20C2H6/c1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-7(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;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)7-3-4-8-9(11-7)12-5-10-8;1-5(2)6-3-12-4-9-11-7(12)8(13)10-6;20*1-2/h4-7H,1-3H3;2*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);4*3-7H,1-2H3;5,7,11H,3-4,6H2,1-2H3;2*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H,10,11,12);3-6H,1-2H3;6,10H,3-5H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,13);20*1-2H3
InChIKeyJAGAQLNAJGQCFB-UHFFFAOYSA-N
MW4012.93 g/mol
LogP73.46
Rot. Bonds19

About 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one

3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (PubChem CID 158857555) has the molecular formula C240H353N21O20S5 and a molecular weight of 4012.93 g/mol. Its IUPAC name is 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.

Molecular Properties

Compound Name3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
PubChem CID158857555
Molecular FormulaC240H353N21O20S5
Molecular Weight4012.93 g/mol
Exact Mass4009.59
IUPAC Name3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1coc2cccnc12.CC(C)c1cc2c(s1)CNCC2.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)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2n1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccnc2cnoc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/C11H13NO.2C11H12O2.C11H14O.2C11H12O.C10H11NO2.4C10H11NO.C10H15NS.2C10H11NS.C10H12O2.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.C8H10N4O.20C2H6/c1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-7(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;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)7-3-4-8-9(11-7)12-5-10-8;1-5(2)6-3-12-4-9-11-7(12)8(13)10-6;20*1-2/h4-7H,1-3H3;2*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);4*3-7H,1-2H3;5,7,11H,3-4,6H2,1-2H3;2*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H,10,11,12);3-6H,1-2H3;6,10H,3-5H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,13);20*1-2H3
InChIKeyJAGAQLNAJGQCFB-UHFFFAOYSA-N
XLogP73.46
TPSA532.09 Ų
H-Bond Donors5
H-Bond Acceptors43
Rotatable Bonds19
Heavy Atoms286
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004012.93
LogP ≤ 573.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one with MolForge

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Launch Full Analysis

Related Compounds

CID 158395365
CID 158395365
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
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;1,4-di(propan-2-yl)-5H-cyclopenta[c]pyridine;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;3,6-di(propan-2-yl)-1,2,4-triazine;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 160679878
CID 161727242
CID 161727242
6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;3-tert-butyl-7H-cyclopenta[b]pyridine;5-tert-butyl-1H-indene;4-tert-butyl-1H-indole;6-tert-butyl-1H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-2-methyl-1H-benzimidazole;6-tert-butyl-1-methylbenzotriazole;5-tert-butyl-2-methyl-1H-indene;5-tert-butyl-1-methylindole;4-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-1-oxidopyridin-1-ium;5-tert-butylquinoline;2,4-ditert-butyl-6-fluoropyridine
CID 157058602
6-Tert-butyl-2-propan-2-yl-1-benzofuran;6-tert-butyl-2-propan-2-yl-1,3-benzothiazole;6-tert-butyl-2-propan-2-ylfuro[3,2-b]pyridine;6-tert-butyl-2-propan-2-ylindazole;2,5-di(propan-2-yl)-1-benzofuran;2,5-di(propan-2-yl)-1,3-benzothiazole;2,5-di(propan-2-yl)-1,3-benzoxazole;2,5-di(propan-2-yl)furo[2,3-b]pyridine;2,5-di(propan-2-yl)furo[3,2-b]pyridine;2,5-di(propan-2-yl)furo[2,3-c]pyridine;2,6-di(propan-2-yl)imidazo[1,2-a]pyridine;2,5-di(propan-2-yl)indazole;2,5-di(propan-2-yl)-[1,3]thiazolo[4,5-b]pyridine;2,6-di(propan-2-yl)-[1,3]thiazolo[5,4-b]pyridine
CID 157072823
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,2-benzothiazole;6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-3H-1,3-benzoxazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;6-tert-butyl-1H-indazole;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;7-tert-butylquinazoline;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
CID 157095381
bis(6-tert-butyl-1H-benzimidazole);bis(5-tert-butyl-1-benzofuran);5-tert-butyl-1,3-benzothiazole;5-tert-butyl-1,3-benzoxazole;5-tert-butylfuro[2,3-b]pyridine;5-tert-butylfuro[3,2-b]pyridine;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butylimidazo[1,2-a]pyrimidine;6-tert-butylimidazo[1,2-b]pyridazine;5-tert-butyl-2H-indene;5-tert-butyl-1H-indole;bis(6-tert-butyl-1H-indole);5-tert-butyl-1H-pyrrolo[3,2-b]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157132695
tert-butylbenzene;5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1,2-benzothiazole;6-tert-butyl-3H-1,3-benzothiazol-2-one;5-tert-butyl-1,2-benzoxazole;6-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butylcinnoline;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-2,3-dihydroisoindol-1-one;5-tert-butyl-1,3-dihydropyrrolo[2,3-b]pyridin-2-one;6-tert-butyl-3,4-dihydro-1H-quinolin-2-one;5-tert-butyl-1H-indazole;6-tert-butyl-1H-indazole;6-tert-butylisoquinoline;2-tert-butyl-1,6-naphthyridine;6-tert-butylphthalazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;7-tert-butylquinazoline;2-tert-butyl-[1,3]thiazolo[5,4-c]pyridine;2-tert-butylthieno[2,3-c]pyridine;methane
CID 157154327
ethane;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-3H-1-benzofuran-2-one;5-propan-2-yl-3H-2-benzofuran-1-one;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine
CID 157185499
5-tert-butyl-1,3-benzodioxole;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butylisoquinoline;7-tert-butylisoquinoline;5-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline
CID 157236005
5-tert-butyl-1,3-benzodioxole;2-tert-butyl-1-benzofuran;3-tert-butyl-1-benzofuran;5-tert-butyl-1-benzofuran;6-tert-butyl-1-benzofuran;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-benzothiazole;5-tert-butyl-1-benzothiophene;6-tert-butyl-1,3-benzoxazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-3,4-dihydro-2H-chromene;6-tert-butylisoquinoline;7-tert-butylisoquinoline;5-tert-butyl-1-methylbenzimidazole;7-tert-butyl-4-methyl-2,3-dihydro-1,4-benzoxazine;3-tert-butylquinoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline
CID 157253439

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The IUPAC name of 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one (CID 158857555) is 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one.
What is the SMILES notation for 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The canonical SMILES for 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1coc2cccnc12.CC(C)c1cc2c(s1)CNCC2.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)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccc2ncsc2n1.CC(C)c1ccc2occc2c1.CC(C)c1ccc2ocnc2c1.CC(C)c1ccc2oncc2c1.CC(C)c1ccc2scnc2c1.CC(C)c1ccnc2cnoc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1nc2c(s1)CNCC2.
What is the InChIKey of 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
The InChIKey is JAGAQLNAJGQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.2C11H12O2.C11H14O.2C11H12O.C10H11NO2.4C10H11NO.C10H15NS.2C10H11NS.C10H12O2.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.C8H10N4O.20C2H6/c1-11(2,3)8-7-13-9-5-4-6-12-10(8)9;1-7(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;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)8-3-4-9-6-11-12-10(9)5-8;1-7(2)9-5-8-3-4-11-6-10(8)12-9;1-7(2)8-3-4-10-9(5-8)11-6-12-10;2*1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-5(2)6-3-7-8(10-4-6)11-9(12)13-7;1-6(2)7-3-4-10-8-5-11-12-9(7)8;1-6(2)9-11-7-3-4-10-5-8(7)12-9;1-6(2)7-3-4-8-9(11-7)12-5-10-8;1-5(2)6-3-12-4-9-11-7(12)8(13)10-6;20*1-2/h4-7H,1-3H3;2*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);4*3-7H,1-2H3;5,7,11H,3-4,6H2,1-2H3;2*3-7H,1-2H3;3-5,7H,6H2,1-2H3;3-5H,1-2H3,(H,10,11,12);3-6H,1-2H3;6,10H,3-5H2,1-2H3;3-6H,1-2H3;3-5H,1-2H3,(H,10,13);20*1-2H3.
What are the key properties of 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one?
3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one has a molecular weight of 4012.93 g/mol, XLogP of 73.46, 19 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylfuro[3,2-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;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,2-benzoxazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,2-benzoxazole;6-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-3H-1,3-benzoxazol-2-one;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-[1,2]oxazolo[4,5-b]pyridine;6-propan-2-yl-3H-[1,3]oxazolo[4,5-b]pyridin-2-one;2-propan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;2-propan-2-yl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine;5-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;6-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one is sourced from PubChem (CID 158857555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).