2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide

C166H249F9N30O9S — CID 161124411

About 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide (PubChem CID 161124411) has the molecular formula C166H249F9N30O9S and a molecular weight of 3012.07 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide
• PubChem CID: 161124411
• Molecular Formula: C166H249F9N30O9S
• Molecular Weight: 3012.07 g/mol
• Exact Mass: 3009.95
• IUPAC Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide
• SMILES: CC(C)(C)CCOc1ncccn1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ccc(C(F)(F)F)nc1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1cccc(C(F)(F)F)n1.CC(C)(C)Cc1nccc(C(F)(F)F)n1.CC(C)(C)Cc1nccc(N2CCCCC2)n1.CC(C)(C)Cc1nccc(N2CCOCC2)n1.CC(C)(C)Cc1nnc(C2CCC2)o1.CC(C)CCNS(=O)(=O)c1ccccc1.CC(C)Cc1nccc(N(C)C)n1.COc1cc(OC)nc(CC(C)(C)C)n1.COc1ccnc(CC(C)(C)C)n1.Cc1ccnc(CC(C)(C)C)n1.Cc1cncc(CC(C)(C)C)n1
• InChI: InChI=1S/C14H23N3.C13H21N3O.C13H16N2O.2C11H14F3N.C11H18N2O2.C11H18N2O.C11H14N2.C11H17NO2S.C10H13F3N2.C10H17N3.2C10H16N2O.2C10H16N2/c1-14(2,3)11-12-15-8-7-13(16-12)17-9-5-4-6-10-17;1-13(2,3)10-11-14-5-4-12(15-11)16-6-8-17-9-7-16;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-10(2,3)6-8-4-5-9(15-7-8)11(12,13)14;1-10(2,3)7-8-5-4-6-9(15-8)11(12,13)14;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-11(2,3)7-9-12-13-10(14-9)8-5-4-6-8;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-10(2)8-9-12-15(13,14)11-6-4-3-5-7-11;1-9(2,3)6-8-14-5-4-7(15-8)10(11,12)13;1-8(2)7-9-11-6-5-10(12-9)13(3)4;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-10(2,3)5-8-13-9-11-6-4-7-12-9;1-8-6-11-7-9(12-8)5-10(2,3)4;1-8-5-6-11-9(12-8)7-10(2,3)4/h7-8H,4-6,9-11H2,1-3H3;4-5H,6-10H2,1-3H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;6H,7H2,1-5H3;8H,4-7H2,1-3H3;4-6H,7H2,1-3H3;3-7,10,12H,8-9H2,1-2H3;4-5H,6H2,1-3H3;5-6,8H,7H2,1-4H3;5-6H,7H2,1-4H3;4,6-7H,5,8H2,1-3H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3
• InChIKey: ULJFUERFPGSTPJ-UHFFFAOYSA-N
• XLogP: 39.16
• TPSA: 474.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3012.07
LogP ≤ 5	39.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide?

The IUPAC name of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide (CID 161124411) is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide.

What is the SMILES notation for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide?

The canonical SMILES for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide is CC(C)(C)CCOc1ncccn1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1ccc(C(F)(F)F)nc1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1cccc(C(F)(F)F)n1.CC(C)(C)Cc1nccc(C(F)(F)F)n1.CC(C)(C)Cc1nccc(N2CCCCC2)n1.CC(C)(C)Cc1nccc(N2CCOCC2)n1.CC(C)(C)Cc1nnc(C2CCC2)o1.CC(C)CCNS(=O)(=O)c1ccccc1.CC(C)Cc1nccc(N(C)C)n1.COc1cc(OC)nc(CC(C)(C)C)n1.COc1ccnc(CC(C)(C)C)n1.Cc1ccnc(CC(C)(C)C)n1.Cc1cncc(CC(C)(C)C)n1.

What is the InChIKey of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide?

The InChIKey is ULJFUERFPGSTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3.C13H21N3O.C13H16N2O.2C11H14F3N.C11H18N2O2.C11H18N2O.C11H14N2.C11H17NO2S.C10H13F3N2.C10H17N3.2C10H16N2O.2C10H16N2/c1-14(2,3)11-12-15-8-7-13(16-12)17-9-5-4-6-10-17;1-13(2,3)10-11-14-5-4-12(15-11)16-6-8-17-9-7-16;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-10(2,3)6-8-4-5-9(15-7-8)11(12,13)14;1-10(2,3)7-8-5-4-6-9(15-8)11(12,13)14;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;1-11(2,3)7-9-12-13-10(14-9)8-5-4-6-8;1-11(2,3)7-9-5-4-6-10(8-12)13-9;1-10(2)8-9-12-15(13,14)11-6-4-3-5-7-11;1-9(2,3)6-8-14-5-4-7(15-8)10(11,12)13;1-8(2)7-9-11-6-5-10(12-9)13(3)4;1-10(2,3)7-8-11-6-5-9(12-8)13-4;1-10(2,3)5-8-13-9-11-6-4-7-12-9;1-8-6-11-7-9(12-8)5-10(2,3)4;1-8-5-6-11-9(12-8)7-10(2,3)4/h7-8H,4-6,9-11H2,1-3H3;4-5H,6-10H2,1-3H3;4-8H,9H2,1-3H3;4-5,7H,6H2,1-3H3;4-6H,7H2,1-3H3;6H,7H2,1-5H3;8H,4-7H2,1-3H3;4-6H,7H2,1-3H3;3-7,10,12H,8-9H2,1-2H3;4-5H,6H2,1-3H3;5-6,8H,7H2,1-4H3;5-6H,7H2,1-4H3;4,6-7H,5,8H2,1-3H3;6-7H,5H2,1-4H3;5-6H,7H2,1-4H3.

What are the key properties of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide?

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 3012.07 g/mol, XLogP of 39.16, 30 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;2-(3,3-dimethylbutoxy)pyrimidine;N,N-dimethyl-2-(2-methylpropyl)pyrimidin-4-amine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4-methoxypyrimidine;2-(2,2-dimethylpropyl)-6-methylpyrazine;2-(2,2-dimethylpropyl)-4-methylpyrimidine;2-(2,2-dimethylpropyl)-4-piperidin-1-ylpyrimidine;6-(2,2-dimethylpropyl)pyridine-2-carbonitrile;3-(2,2-dimethylpropyl)-5-pyridin-2-yl-1,2-oxazole;4-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]morpholine;2-(2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine;5-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyridine;2-(2,2-dimethylpropyl)-4-(trifluoromethyl)pyrimidine;N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 161124411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).