2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole

C115H135Cl4N17O5S2 — CID 158883057

About 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole

2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole (PubChem CID 158883057) has the molecular formula C115H135Cl4N17O5S2 and a molecular weight of 2041.40 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole.

Molecular Properties

• Compound Name: 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole
• PubChem CID: 158883057
• Molecular Formula: C115H135Cl4N17O5S2
• Molecular Weight: 2041.40 g/mol
• Exact Mass: 2037.90
• IUPAC Name: 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole
• SMILES: CC(C)(C)c1cc(-c2ccc(Cl)cc2)on1.CC(C)(C)c1cc(-c2ccc(Cl)s2)on1.CC(C)(C)c1cc(-c2ccccc2)on1.CC(C)(C)c1ncc(-c2ccc(Cl)cc2)[nH]1.CC(C)(C)c1ncc(-c2ccc(Cl)s2)[nH]1.CC(C)(C)c1ncc(-c2ccccc2)[nH]1.CC(C)(C)c1ncc(-c2ccccc2)o1.[H]/N=C(\N)c1cccc(-c2cc(C(C)(C)C)no2)c1.[H]/N=C(\N)c1cccc(-c2cnc(C(C)(C)C)[nH]2)c1
• InChI: InChI=1S/C14H18N4.C14H17N3O.C13H15ClN2.C13H14ClNO.C13H16N2.2C13H15NO.C11H13ClN2S.C11H12ClNOS/c1-14(2,3)13-17-8-11(18-13)9-5-4-6-10(7-9)12(15)16;1-14(2,3)12-8-11(18-17-12)9-5-4-6-10(7-9)13(15)16;1-13(2,3)12-15-8-11(16-12)9-4-6-10(14)7-5-9;1-13(2,3)12-8-11(16-15-12)9-4-6-10(14)7-5-9;2*1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;1-13(2,3)12-9-11(15-14-12)10-7-5-4-6-8-10;1-11(2,3)10-13-6-7(14-10)8-4-5-9(12)15-8;1-11(2,3)9-6-7(14-13-9)8-4-5-10(12)15-8/h4-8H,1-3H3,(H3,15,16)(H,17,18);4-8H,1-3H3,(H3,15,16);4-8H,1-3H3,(H,15,16);4-8H,1-3H3;4-9H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4-6H,1-3H3
• InChIKey: JDGOYOHMUQKGCE-UHFFFAOYSA-N
• XLogP: 33.00
• TPSA: 344.61 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2041.40
LogP ≤ 5	33.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole?

The IUPAC name of 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole (CID 158883057) is 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole.

What is the SMILES notation for 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole?

The canonical SMILES for 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole is CC(C)(C)c1cc(-c2ccc(Cl)cc2)on1.CC(C)(C)c1cc(-c2ccc(Cl)s2)on1.CC(C)(C)c1cc(-c2ccccc2)on1.CC(C)(C)c1ncc(-c2ccc(Cl)cc2)[nH]1.CC(C)(C)c1ncc(-c2ccc(Cl)s2)[nH]1.CC(C)(C)c1ncc(-c2ccccc2)[nH]1.CC(C)(C)c1ncc(-c2ccccc2)o1.[H]/N=C(\N)c1cccc(-c2cc(C(C)(C)C)no2)c1.[H]/N=C(\N)c1cccc(-c2cnc(C(C)(C)C)[nH]2)c1.

What is the InChIKey of 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole?

The InChIKey is JDGOYOHMUQKGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4.C14H17N3O.C13H15ClN2.C13H14ClNO.C13H16N2.2C13H15NO.C11H13ClN2S.C11H12ClNOS/c1-14(2,3)13-17-8-11(18-13)9-5-4-6-10(7-9)12(15)16;1-14(2,3)12-8-11(18-17-12)9-5-4-6-10(7-9)13(15)16;1-13(2,3)12-15-8-11(16-12)9-4-6-10(14)7-5-9;1-13(2,3)12-8-11(16-15-12)9-4-6-10(14)7-5-9;2*1-13(2,3)12-14-9-11(15-12)10-7-5-4-6-8-10;1-13(2,3)12-9-11(15-14-12)10-7-5-4-6-8-10;1-11(2,3)10-13-6-7(14-10)8-4-5-9(12)15-8;1-11(2,3)9-6-7(14-13-9)8-4-5-10(12)15-8/h4-8H,1-3H3,(H3,15,16)(H,17,18);4-8H,1-3H3,(H3,15,16);4-8H,1-3H3,(H,15,16);4-8H,1-3H3;4-9H,1-3H3,(H,14,15);2*4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4-6H,1-3H3.

What are the key properties of 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole?

2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole has a molecular weight of 2041.40 g/mol, XLogP of 33.00, 11 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-(4-chlorophenyl)-1H-imidazole;3-tert-butyl-5-(4-chlorophenyl)-1,2-oxazole;2-tert-butyl-5-(5-chlorothiophen-2-yl)-1H-imidazole;3-tert-butyl-5-(5-chlorothiophen-2-yl)-1,2-oxazole;3-(2-tert-butyl-1H-imidazol-5-yl)benzenecarboximidamide;3-(3-tert-butyl-1,2-oxazol-5-yl)benzenecarboximidamide;2-tert-butyl-5-phenyl-1H-imidazole;2-tert-butyl-5-phenyl-1,3-oxazole;3-tert-butyl-5-phenyl-1,2-oxazole is sourced from PubChem (CID 158883057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).