methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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

C210H246N22O22S5 — CID 158342253

IUPACmethane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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
SMILESC.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)c1ccnc2c1OC(=O)C2.CC(C)c1ccnc2cnoc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1coc2cccnc12.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/2C11H12O2.C11H14O.2C11H12O.2C10H11NO2.5C10H11NO.C10H15NS.2C10H11NS.C10H12O2.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.C8H10N4O.CH4/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)7-3-4-11-8-5-9(12)13-10(7)8;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)8-6-12-9-4-3-5-11-10(8)9;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;/h2*3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3,(H,11,12);5*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);1H4
InChIKeyGRHMGBSOSZMWOS-UHFFFAOYSA-N
MW3590.74 g/mol
LogP55.06
Rot. Bonds21

About methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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

methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 158342253) has the molecular formula C210H246N22O22S5 and a molecular weight of 3590.74 g/mol. Its IUPAC name is methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 Namemethane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 CID158342253
Molecular FormulaC210H246N22O22S5
Molecular Weight3590.74 g/mol
Exact Mass3587.74
IUPAC Namemethane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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
SMILESC.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)c1ccnc2c1OC(=O)C2.CC(C)c1ccnc2cnoc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1coc2cccnc12.CC(C)c1nc2c(s1)CNCC2
InChIInChI=1S/2C11H12O2.C11H14O.2C11H12O.2C10H11NO2.5C10H11NO.C10H15NS.2C10H11NS.C10H12O2.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.C8H10N4O.CH4/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)7-3-4-11-8-5-9(12)13-10(7)8;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)8-6-12-9-4-3-5-11-10(8)9;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;/h2*3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3,(H,11,12);5*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);1H4
InChIKeyGRHMGBSOSZMWOS-UHFFFAOYSA-N
XLogP55.06
TPSA571.28 Ų
H-Bond Donors5
H-Bond Acceptors46
Rotatable Bonds21
Heavy Atoms259
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003590.74
LogP ≤ 555.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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

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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 160882731
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-2-benzofuran-1-one;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;3-propan-2-yl-2,5-dihydropyrazolo[3,4-d]pyrimidin-4-one;3-propan-2-ylfuro[3,2-b]pyridine;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[4,3-b]pyridazine;bis(7-propan-2-yl-2H-triazolo[4,5-b]pyridine)
CID 167644889
ethane;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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
CID 159399359
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;chromen-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;3H-indazole;quinoline
CID 158886677
4a,8a-dihydrochromen-2-one;1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;methane;quinoline
CID 160621867
1H-benzimidazole;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,2,3-benzoxadiazole;3H-1,3-benzoxazol-2-one;chromen-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;ethane;1H-indazole;quinoline
CID 160876829
bis(6-propan-2-yl-1H-benzimidazole);5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole
CID 164963078
benzene;bis(1H-benzimidazole);1,3-benzodioxole;1,3-benzothiazole;1,3-benzoxazole;3H-1,3-benzoxazol-2-one;2,3-bis(ethenyl)naphthalene-1,4-dione;chromen-2-one;2,3-dihydro-1-benzofuran;2,3-dihydro-1,3-benzoxazole;2,3-dihydro-1H-indene;ethane;1H-indazole;indene-1,3-dione;1H-indole;isoquinoline;naphthalene;quinoline
CID 167548834
acridine;1H-benzimidazole;1,3-benzothiazole;4H-3,1-benzoxazine;1,3-benzoxazole;9H-carbazole;2H-chromene;chromen-2-one;chromen-4-one;cinnoline;1,3-dihydro-2-benzofuran;2,3-dihydro-1,2-benzothiazole;2,3-dihydro-1,2-benzothiazole 1,1-dioxide;3,4-dihydro-2H-chromene;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;3H-indole;isoquinoline;1,8-naphthyridine;phenazine;10H-phenothiazine;10H-phenoxazine;phthalazine;pteridine;quinazoline;quinoxaline
CID 158335072
ethane;1-methyl-6-propan-2-ylbenzimidazole;6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzoxazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;6-propan-2-yl-1H-indol-4-ol;6-propan-2-ylisoquinoline;2-propan-2-yl-1,5-naphthyridine;3-propan-2-yl-1,8-naphthyridine;6-propan-2-ylquinazoline;3-propan-2-ylquinoline;6-propan-2-ylquinoline;6-propan-2-ylquinoxaline
CID 165099029
4H-1,3-benzodioxine;1,3-benzodioxole;1-benzofuran;1,3-benzothiazole;1,3-benzoxazole;2,3-dihydro-1,4-benzodioxine;2,3-dihydro-1-benzofuran;6,7-dihydro-5H-cyclopenta[b]pyridine;3,4-dihydro-1H-isochromene;ethane;1-methylbenzimidazole;2-methyl-3,4-dihydro-1H-isoquinoline;1-methyl-3,4-dihydro-2H-quinoline
CID 159112164
5-propan-2-yl-1-benzofuran;6-propan-2-yl-1-benzofuran;5-propan-2-yl-1,3-benzoxazole;bis(6-propan-2-yl-1,3-benzoxazole);5-propan-2-yl-1H-indene
CID 159420772

Frequently Asked Questions

What is the IUPAC name of methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 158342253) is methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 C.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)c1ccnc2c1OC(=O)C2.CC(C)c1ccnc2cnoc12.CC(C)c1cn2cnnc2c(=O)[nH]1.CC(C)c1cnc2[nH]c(=O)oc2c1.CC(C)c1coc2cccnc12.CC(C)c1nc2c(s1)CNCC2.
What is the InChIKey of methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 GRHMGBSOSZMWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H12O2.C11H14O.2C11H12O.2C10H11NO2.5C10H11NO.C10H15NS.2C10H11NS.C10H12O2.C9H10N2O2.C9H10N2O.C9H14N2S.C9H10N2S.C8H10N4O.CH4/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)7-3-4-11-8-5-9(12)13-10(7)8;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)8-6-12-9-4-3-5-11-10(8)9;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;/h2*3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-4,6H,5H2,1-2H3;3-6H,1-2H3,(H,11,12);5*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);1H4.
What are the key properties of methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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?
methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 3590.74 g/mol, XLogP of 55.06, 21 rotatable bonds, 5 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for methane;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;3-propan-2-ylfuro[3,2-b]pyridine;7-propan-2-yl-3H-furo[3,2-b]pyridin-2-one;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 158342253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).