2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine

C106H159F2N19O8S2 — CID 157167643

About 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine (PubChem CID 157167643) has the molecular formula C106H159F2N19O8S2 and a molecular weight of 1929.69 g/mol. Its IUPAC name is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine
• PubChem CID: 157167643
• Molecular Formula: C106H159F2N19O8S2
• Molecular Weight: 1929.69 g/mol
• Exact Mass: 1928.20
• IUPAC Name: 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine
• SMILES: CC(C)(C)CCOc1ncccn1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ncc(-c2ccc(C(C)(F)F)nc2)cn1.CC(C)(C)Cc1nccc(N2CCCCC2)n1.CC(C)(C)Cc1nnc(C2CCC2)o1.CC(C)CCNS(=O)(=O)C1CC1.CC(C)CCNS(=O)(=O)c1ccccc1.CC(C)Cc1nccc(N2CCOCC2)n1
• InChI: InChI=1S/C16H19F2N3.C14H23N3.C13H16N2O.C12H19N3O.C11H18N2O.C11H14N2.C11H17NO2S.C10H16N2O.C8H17NO2S/c1-15(2,3)7-14-20-9-12(10-21-14)11-5-6-13(19-8-11)16(4,17)18;1-14(2,3)11-12-15-8-7-13(16-12)17-9-5-4-6-10-17;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-10(2)9-11-13-4-3-12(14-11)15-5-7-16-8-6-15;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;1-10(2,3)5-8-13-9-11-6-4-7-12-9;1-7(2)5-6-9-12(10,11)8-3-4-8/h5-6,8-10H,7H2,1-4H3;7-8H,4-6,9-11H2,1-3H3;4-8H,9H2,1-3H3;3-4,10H,5-9H2,1-2H3;8H,4-7H2,1-3H3;4-6H,7H2,1-3H3;3-7,10,12H,8-9H2,1-2H3;4,6-7H,5,8H2,1-3H3;7-9H,3-6H2,1-2H3
• InChIKey: ANCFRRJPKQNYAZ-UHFFFAOYSA-N
• XLogP: 23.02
• TPSA: 347.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1929.69
LogP ≤ 5	23.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine?

The IUPAC name of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine (CID 157167643) is 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine.

What is the SMILES notation for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine?

The canonical SMILES for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine is CC(C)(C)CCOc1ncccn1.CC(C)(C)Cc1cc(-c2ccccn2)on1.CC(C)(C)Cc1cccc(C#N)n1.CC(C)(C)Cc1ncc(-c2ccc(C(C)(F)F)nc2)cn1.CC(C)(C)Cc1nccc(N2CCCCC2)n1.CC(C)(C)Cc1nnc(C2CCC2)o1.CC(C)CCNS(=O)(=O)C1CC1.CC(C)CCNS(=O)(=O)c1ccccc1.CC(C)Cc1nccc(N2CCOCC2)n1.

What is the InChIKey of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine?

The InChIKey is ANCFRRJPKQNYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3.C14H23N3.C13H16N2O.C12H19N3O.C11H18N2O.C11H14N2.C11H17NO2S.C10H16N2O.C8H17NO2S/c1-15(2,3)7-14-20-9-12(10-21-14)11-5-6-13(19-8-11)16(4,17)18;1-14(2,3)11-12-15-8-7-13(16-12)17-9-5-4-6-10-17;1-13(2,3)9-10-8-12(16-15-10)11-6-4-5-7-14-11;1-10(2)9-11-13-4-3-12(14-11)15-5-7-16-8-6-15;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;1-10(2,3)5-8-13-9-11-6-4-7-12-9;1-7(2)5-6-9-12(10,11)8-3-4-8/h5-6,8-10H,7H2,1-4H3;7-8H,4-6,9-11H2,1-3H3;4-8H,9H2,1-3H3;3-4,10H,5-9H2,1-2H3;8H,4-7H2,1-3H3;4-6H,7H2,1-3H3;3-7,10,12H,8-9H2,1-2H3;4,6-7H,5,8H2,1-3H3;7-9H,3-6H2,1-2H3.

What are the key properties of 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine?

2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine has a molecular weight of 1929.69 g/mol, XLogP of 23.02, 26 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-5-(2,2-dimethylpropyl)-1,3,4-oxadiazole;5-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-(2,2-dimethylpropyl)pyrimidine;2-(3,3-dimethylbutoxy)pyrimidine;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;N-(3-methylbutyl)benzenesulfonamide;N-(3-methylbutyl)cyclopropanesulfonamide;4-[2-(2-methylpropyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 157167643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).