3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

C130H166F2N22O6S2 — CID 157433408

About 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole

3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 157433408) has the molecular formula C130H166F2N22O6S2 and a molecular weight of 2235.04 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

• Compound Name: 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
• PubChem CID: 157433408
• Molecular Formula: C130H166F2N22O6S2
• Molecular Weight: 2235.04 g/mol
• Exact Mass: 2233.28
• IUPAC Name: 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole
• SMILES: CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1cnn2cc(C#N)ccc12.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CC(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1
• InChI: InChI=1S/C16H16FN3.C16H18FNS.C15H21NO.C15H21N.C14H20O.C13H17N3S.C12H13N3.C11H16N2O2.C9H12N4O2.C9H12N4/c1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-10(2)13-4-3-5-14-15(13)19-16(18-14)11-6-8-12(17)9-7-11;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7/h4-9,19H,1-3H3;6-10,13H,3-5H2,1-2H3;7-9,13H,6H2,1-5H3;5-9,14,16H,10H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;4-5,7-8H,1-3H3;4,6,8H,5,7H2,1-3H3;1-4H3;4-5,7H,1-3H3
• InChIKey: BQUVIZYDQZZKBC-UHFFFAOYSA-N
• XLogP: 30.99
• TPSA: 358.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 8
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2235.04
LogP ≤ 5	30.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?

The IUPAC name of 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 157433408) is 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole.

What is the SMILES notation for 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?

The canonical SMILES for 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is CC(C)(C)C1CCc2ccccc2C1O.CC(C)(C)C1N=CN=C2N=NC=C21.CC(C)(C)c1ccn(C2CCOC2=O)n1.CC(C)(C)c1cnn2cc(C#N)ccc12.CC(C)(C)c1nccc(-c2cc3c(F)cccc3[nH]2)n1.CC(C)C1CCCc2nc(-c3ccc(F)cc3)sc21.CC1=C(c2ccccc2)C(C(C)(C)C)NC1.CCN1C(=O)C(C(C)(C)C)c2cc(C)ccc21.Cc1nc(-c2cnc(C)s2)cc(C(C)(C)C)n1.Cc1noc(-c2nonc2C(C)(C)C)n1.

What is the InChIKey of 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?

The InChIKey is BQUVIZYDQZZKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3.C16H18FNS.C15H21NO.C15H21N.C14H20O.C13H17N3S.C12H13N3.C11H16N2O2.C9H12N4O2.C9H12N4/c1-16(2,3)15-18-8-7-13(20-15)14-9-10-11(17)5-4-6-12(10)19-14;1-10(2)13-4-3-5-14-15(13)19-16(18-14)11-6-8-12(17)9-7-11;1-6-16-12-8-7-10(2)9-11(12)13(14(16)17)15(3,4)5;1-11-10-16-14(15(2,3)4)13(11)12-8-6-5-7-9-12;1-14(2,3)12-9-8-10-6-4-5-7-11(10)13(12)15;1-8-15-10(11-7-14-9(2)17-11)6-12(16-8)13(3,4)5;1-12(2,3)10-7-14-15-8-9(6-13)4-5-11(10)15;1-11(2,3)9-4-6-13(12-9)8-5-7-15-10(8)14;1-5-10-8(14-11-5)6-7(9(2,3)4)13-15-12-6;1-9(2,3)7-6-4-12-13-8(6)11-5-10-7/h4-9,19H,1-3H3;6-10,13H,3-5H2,1-2H3;7-9,13H,6H2,1-5H3;5-9,14,16H,10H2,1-4H3;4-7,12-13,15H,8-9H2,1-3H3;6-7H,1-5H3;4-5,7-8H,1-3H3;4,6,8H,5,7H2,1-3H3;1-4H3;4-5,7H,1-3H3.

What are the key properties of 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole?

3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 2235.04 g/mol, XLogP of 30.99, 8 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1-ethyl-5-methyl-3H-indol-2-one;3-tert-butyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazole;2-tert-butyl-4-methyl-3-phenyl-2,5-dihydro-1H-pyrrole;5-(6-tert-butyl-2-methylpyrimidin-4-yl)-2-methyl-1,3-thiazole;3-tert-butylpyrazolo[1,5-a]pyridine-6-carbonitrile;4-tert-butyl-4H-pyrazolo[3,4-d]pyrimidine;3-(3-tert-butylpyrazol-1-yl)oxolan-2-one;2-(2-tert-butylpyrimidin-4-yl)-4-fluoro-1H-indole;2-tert-butyl-1,2,3,4-tetrahydronaphthalen-1-ol;2-(4-fluorophenyl)-7-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 157433408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).