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)

C196H290N30O16 — CID 167644889

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-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)

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) (PubChem CID 167644889) has the molecular formula C196H290N30O16 and a molecular weight of 3322.67 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-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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 167644889
• Molecular Formula: C196H290N30O16
• Molecular Weight: 3322.67 g/mol
• Exact Mass: 3320.28
• IUPAC Name: 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)
• SMILES: 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)CCO2.CC(C)c1ccc2c(c1)COC2=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.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)c1cnc2ncnn2c1.CC(C)c1coc2cccnc12
• InChI: InChI=1S/C11H12O2.C11H14O.2C11H12O.C10H11NO2.5C10H11NO.C10H12O2.2C8H10N4O.4C8H10N4.17C2H6/c1-7(2)8-3-4-10-9(5-8)6-13-11(10)12;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)8-6-12-9-4-3-5-11-10(8)9;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)7-3-9-8-10-5-11-12(8)4-7;1-6(2)7-3-4-8-10-9-5-12(8)11-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8;17*1-2/h3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3,(H,11,12);5*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);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);17*1-2H3
• InChIKey: PSLNOKDAYPGSIX-UHFFFAOYSA-N
• XLogP: 56.08
• TPSA: 588.98 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 17
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3322.67
LogP ≤ 5	56.08
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

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-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)?

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-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) 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-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).

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-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)?

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-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) is 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)CCO2.CC(C)c1ccc2c(c1)COC2=O.CC(C)c1ccc2c(c1)OCO2.CC(C)c1ccc2cnoc2c1.CC(C)c1ccc2ncoc2c1.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)c1cnc2ncnn2c1.CC(C)c1coc2cccnc12.

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-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)?

The InChIKey is PSLNOKDAYPGSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2.C11H14O.2C11H12O.C10H11NO2.5C10H11NO.C10H12O2.2C8H10N4O.4C8H10N4.17C2H6/c1-7(2)8-3-4-10-9(5-8)6-13-11(10)12;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)8-6-12-9-4-3-5-11-10(8)9;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)7-3-9-8-10-5-11-12(8)4-7;1-6(2)7-3-4-8-10-9-5-12(8)11-7;2*1-5(2)6-3-4-9-8-7(6)10-12-11-8;17*1-2/h3-5,7H,6H2,1-2H3;3-4,7-8H,5-6H2,1-2H3;2*3-8H,1-2H3;3-6H,1-2H3,(H,11,12);5*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);2*3-6H,1-2H3;2*3-5H,1-2H3,(H,9,10,11,12);17*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-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)?

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) has a molecular weight of 3322.67 g/mol, XLogP of 56.08, 17 rotatable bonds, 6 hydrogen bond donors, and 40 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-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) is sourced from PubChem (CID 167644889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).