3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole

C57H80ClF6N7O3 — CID 158410098

About 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole

3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole (PubChem CID 158410098) has the molecular formula C57H80ClF6N7O3 and a molecular weight of 1060.75 g/mol. Its IUPAC name is 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole.

Molecular Properties

• Compound Name: 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole
• PubChem CID: 158410098
• Molecular Formula: C57H80ClF6N7O3
• Molecular Weight: 1060.75 g/mol
• Exact Mass: 1059.59
• IUPAC Name: 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole
• SMILES: CC(C)(C)c1cc(C(C)(C)C)on1.CC1=CN(c2cc(Cl)cc(C(C)(C)C)c2)CO1.CN1CCN(CCOc2ncc(C(C)(C)C)cc2C(F)(F)F)CC1.Cc1cn(-c2cc(C(C)(C)C)cc(C(F)(F)F)c2)cn1
• InChI: InChI=1S/C17H26F3N3O.C15H17F3N2.C14H18ClNO.C11H19NO/c1-16(2,3)13-11-14(17(18,19)20)15(21-12-13)24-10-9-23-7-5-22(4)6-8-23;1-10-8-20(9-19-10)13-6-11(14(2,3)4)5-12(7-13)15(16,17)18;1-10-8-16(9-17-10)13-6-11(14(2,3)4)5-12(15)7-13;1-10(2,3)8-7-9(13-12-8)11(4,5)6/h11-12H,5-10H2,1-4H3;5-9H,1-4H3;5-8H,9H2,1-4H3;7H,1-6H3
• InChIKey: GZEWLWVKRQSBPN-UHFFFAOYSA-N
• XLogP: 15.08
• TPSA: 84.92 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1060.75
LogP ≤ 5	15.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole?

The IUPAC name of 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole (CID 158410098) is 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole.

What is the SMILES notation for 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole?

The canonical SMILES for 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole is CC(C)(C)c1cc(C(C)(C)C)on1.CC1=CN(c2cc(Cl)cc(C(C)(C)C)c2)CO1.CN1CCN(CCOc2ncc(C(C)(C)C)cc2C(F)(F)F)CC1.Cc1cn(-c2cc(C(C)(C)C)cc(C(F)(F)F)c2)cn1.

What is the InChIKey of 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole?

The InChIKey is GZEWLWVKRQSBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O.C15H17F3N2.C14H18ClNO.C11H19NO/c1-16(2,3)13-11-14(17(18,19)20)15(21-12-13)24-10-9-23-7-5-22(4)6-8-23;1-10-8-20(9-19-10)13-6-11(14(2,3)4)5-12(7-13)15(16,17)18;1-10-8-16(9-17-10)13-6-11(14(2,3)4)5-12(15)7-13;1-10(2,3)8-7-9(13-12-8)11(4,5)6/h11-12H,5-10H2,1-4H3;5-9H,1-4H3;5-8H,9H2,1-4H3;7H,1-6H3.

What are the key properties of 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole?

3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole has a molecular weight of 1060.75 g/mol, XLogP of 15.08, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-tert-butyl-5-chlorophenyl)-5-methyl-2H-1,3-oxazole;1-[3-tert-butyl-5-(trifluoromethyl)phenyl]-4-methylimidazole;1-[2-[[5-tert-butyl-3-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-4-methylpiperazine;3,5-ditert-butyl-1,2-oxazole is sourced from PubChem (CID 158410098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).