3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine

C117H173N21O10 — CID 159328550

About 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine

3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine (PubChem CID 159328550) has the molecular formula C117H173N21O10 and a molecular weight of 2033.81 g/mol. Its IUPAC name is 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine.

Molecular Properties

• Compound Name: 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
• PubChem CID: 159328550
• Molecular Formula: C117H173N21O10
• Molecular Weight: 2033.81 g/mol
• Exact Mass: 2032.37
• IUPAC Name: 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
• SMILES: C#Cc1cnc(OCCC(C)(C)C)nc1.CC(C)(C)CC(C)(C)COc1ncccn1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CCOc1nccc(-c2noc(C3CC3)n2)n1.CC(C)(C)Cc1cc(-c2ccccc2)no1.CC(C)(C)Cc1nc(Cc2ccccc2)no1.CC(C)(C)Cc1noc(C2CC2)n1.Cc1cnc(CC(C)(C)C)nc1.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1
• InChI: InChI=1S/C15H20N4O2.C14H18N2O.C14H17NO.C13H20N2O.C13H22N2O.C12H16N2O.C10H16N2O.C10H16N2.2C8H14N2O/c1-15(2,3)7-9-20-14-16-8-6-11(17-14)12-18-13(21-19-12)10-4-5-10;1-14(2,3)10-13-15-12(16-17-13)9-11-7-5-4-6-8-11;1-14(2,3)10-12-9-13(15-16-12)11-7-5-4-6-8-11;1-12(2,3)9-13(5-6-13)10-16-11-14-7-4-8-15-11;1-12(2,3)9-13(4,5)10-16-11-14-7-6-8-15-11;1-5-10-8-13-11(14-9-10)15-7-6-12(2,3)4;1-10(2,3)6-8-11-9(13-12-8)7-4-5-7;1-8-6-11-9(12-7-8)5-10(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4/h6,8,10H,4-5,7,9H2,1-3H3;4-8H,9-10H2,1-3H3;4-9H,10H2,1-3H3;4,7-8H,5-6,9-10H2,1-3H3;6-8H,9-10H2,1-5H3;1,8-9H,6-7H2,2-4H3;7H,4-6H2,1-3H3;6-7H,5H2,1-4H3;2*5H2,1-4H3
• InChIKey: LERJHLMUITVAPN-UHFFFAOYSA-N
• XLogP: 27.90
• TPSA: 386.45 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 26
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2033.81
LogP ≤ 5	27.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?

The IUPAC name of 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine (CID 159328550) is 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine.

What is the SMILES notation for 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?

The canonical SMILES for 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine is C#Cc1cnc(OCCC(C)(C)C)nc1.CC(C)(C)CC(C)(C)COc1ncccn1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CCOc1nccc(-c2noc(C3CC3)n2)n1.CC(C)(C)Cc1cc(-c2ccccc2)no1.CC(C)(C)Cc1nc(Cc2ccccc2)no1.CC(C)(C)Cc1noc(C2CC2)n1.Cc1cnc(CC(C)(C)C)nc1.Cc1nc(CC(C)(C)C)no1.Cc1noc(CC(C)(C)C)n1.

What is the InChIKey of 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?

The InChIKey is LERJHLMUITVAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2.C14H18N2O.C14H17NO.C13H20N2O.C13H22N2O.C12H16N2O.C10H16N2O.C10H16N2.2C8H14N2O/c1-15(2,3)7-9-20-14-16-8-6-11(17-14)12-18-13(21-19-12)10-4-5-10;1-14(2,3)10-13-15-12(16-17-13)9-11-7-5-4-6-8-11;1-14(2,3)10-12-9-13(15-16-12)11-7-5-4-6-8-11;1-12(2,3)9-13(5-6-13)10-16-11-14-7-4-8-15-11;1-12(2,3)9-13(4,5)10-16-11-14-7-6-8-15-11;1-5-10-8-13-11(14-9-10)15-7-6-12(2,3)4;1-10(2,3)6-8-11-9(13-12-8)7-4-5-7;1-8-6-11-9(12-7-8)5-10(2,3)4;1-6-9-7(10-11-6)5-8(2,3)4;1-6-9-7(11-10-6)5-8(2,3)4/h6,8,10H,4-5,7,9H2,1-3H3;4-8H,9-10H2,1-3H3;4-9H,10H2,1-3H3;4,7-8H,5-6,9-10H2,1-3H3;6-8H,9-10H2,1-5H3;1,8-9H,6-7H2,2-4H3;7H,4-6H2,1-3H3;6-7H,5H2,1-4H3;2*5H2,1-4H3.

What are the key properties of 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?

3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine has a molecular weight of 2033.81 g/mol, XLogP of 27.90, 26 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-5-(2,2-dimethylpropyl)-1,2,4-oxadiazole;5-cyclopropyl-3-[2-(3,3-dimethylbutoxy)pyrimidin-4-yl]-1,2,4-oxadiazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;2-(3,3-dimethylbutoxy)-5-ethynylpyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2,4,4-tetramethylpentoxy)pyrimidine is sourced from PubChem (CID 159328550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).