3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine

C171H267N25O12 — CID 157051058

About 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine

3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine (PubChem CID 157051058) has the molecular formula C171H267N25O12 and a molecular weight of 2865.18 g/mol. Its IUPAC name is 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine.

Molecular Properties

• Compound Name: 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
• PubChem CID: 157051058
• Molecular Formula: C171H267N25O12
• Molecular Weight: 2865.18 g/mol
• Exact Mass: 2863.11
• IUPAC Name: 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine
• SMILES: CC(C)(C)CC(C)(C)COc1ncccn1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)Cc1cc(-c2ccccc2)no1.CC(C)(C)Cc1cc(Cc2ccccc2)no1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cc1noc(C2CC2)n1.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)nc1.Cc1nc(CC(C)(C)C)no1.Cc1nc(CC(C)(C)C)oc1C.Cc1noc(CC(C)(C)C)n1
• InChI: InChI=1S/C15H19NO.C14H17NO.C13H20N2O.C13H22N2O.C11H18N2O2.2C11H17N.C10H16N2O.2C10H16N2.C10H17NO.C9H14N2.2C9H15NO.2C8H14N2O/c1-15(2,3)11-14-10-13(16-17-14)9-12-7-5-4-6-8-12;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;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;2*1-11(2,3)8-7-10-6-4-5-9-12-10;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;1-10(2,3)6-5-9-11-7-4-8-12-9;1-7-8(2)12-9(11-7)6-10(3,4)5;1-9(2,3)7-8-10-5-4-6-11-8;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(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/h4-8,10H,9,11H2,1-3H3;4-9H,10H2,1-3H3;4,7-8H,5-6,9-10H2,1-3H3;6-8H,9-10H2,1-5H3;6H,7H2,1-5H3;2*4-6,9H,7-8H2,1-3H3;7H,4-6H2,1-3H3;6-7H,5H2,1-4H3;4,7-8H,5-6H2,1-3H3;6H2,1-5H3;4-6H,7H2,1-3H3;2*5H,6H2,1-4H3;2*5H2,1-4H3
• InChIKey: AAFCLZMRIFNOEG-UHFFFAOYSA-N
• XLogP: 43.76
• TPSA: 464.29 Ų
• H-Bond Acceptors: 37
• Rotatable Bonds: 31
• Heavy Atoms: 208
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2865.18
LogP ≤ 5	43.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?

The IUPAC name of 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine (CID 157051058) is 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine.

What is the SMILES notation for 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?

The canonical SMILES for 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine is CC(C)(C)CC(C)(C)COc1ncccn1.CC(C)(C)CC1(COc2ncccn2)CC1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ccccn1.CC(C)(C)CCc1ncccn1.CC(C)(C)Cc1cc(-c2ccccc2)no1.CC(C)(C)Cc1cc(Cc2ccccc2)no1.CC(C)(C)Cc1ncccn1.CC(C)(C)Cc1noc(C2CC2)n1.COc1cc(OC)nc(CC(C)(C)C)n1.Cc1cc(CC(C)(C)C)no1.Cc1cc(CC(C)(C)C)on1.Cc1cnc(CC(C)(C)C)nc1.Cc1nc(CC(C)(C)C)no1.Cc1nc(CC(C)(C)C)oc1C.Cc1noc(CC(C)(C)C)n1.

What is the InChIKey of 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?

The InChIKey is AAFCLZMRIFNOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C14H17NO.C13H20N2O.C13H22N2O.C11H18N2O2.2C11H17N.C10H16N2O.2C10H16N2.C10H17NO.C9H14N2.2C9H15NO.2C8H14N2O/c1-15(2,3)11-14-10-13(16-17-14)9-12-7-5-4-6-8-12;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;1-11(2,3)7-8-12-9(14-4)6-10(13-8)15-5;2*1-11(2,3)8-7-10-6-4-5-9-12-10;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;1-10(2,3)6-5-9-11-7-4-8-12-9;1-7-8(2)12-9(11-7)6-10(3,4)5;1-9(2,3)7-8-10-5-4-6-11-8;1-7-5-8(10-11-7)6-9(2,3)4;1-7-5-8(11-10-7)6-9(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/h4-8,10H,9,11H2,1-3H3;4-9H,10H2,1-3H3;4,7-8H,5-6,9-10H2,1-3H3;6-8H,9-10H2,1-5H3;6H,7H2,1-5H3;2*4-6,9H,7-8H2,1-3H3;7H,4-6H2,1-3H3;6-7H,5H2,1-4H3;4,7-8H,5-6H2,1-3H3;6H2,1-5H3;4-6H,7H2,1-3H3;2*5H,6H2,1-4H3;2*5H2,1-4H3.

What are the key properties of 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine?

3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine has a molecular weight of 2865.18 g/mol, XLogP of 43.76, 31 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-5-(2,2-dimethylpropyl)-1,2-oxazole;5-cyclopropyl-3-(2,2-dimethylpropyl)-1,2,4-oxadiazole;bis(2-(3,3-dimethylbutyl)pyridine);2-(3,3-dimethylbutyl)pyrimidine;2-[[1-(2,2-dimethylpropyl)cyclopropyl]methoxy]pyrimidine;2-(2,2-dimethylpropyl)-4,6-dimethoxypyrimidine;2-(2,2-dimethylpropyl)-4,5-dimethyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2,4-oxadiazole;5-(2,2-dimethylpropyl)-3-methyl-1,2,4-oxadiazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;5-(2,2-dimethylpropyl)-3-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methylpyrimidine;5-(2,2-dimethylpropyl)-3-phenyl-1,2-oxazole;2-(2,2-dimethylpropyl)pyrimidine;2-(2,2,4,4-tetramethylpentoxy)pyrimidine is sourced from PubChem (CID 157051058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).