5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole

C81H121F11N14O4S — CID 159572771

About 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole

5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole (PubChem CID 159572771) has the molecular formula C81H121F11N14O4S and a molecular weight of 1596.00 g/mol. Its IUPAC name is 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole.

Molecular Properties

• Compound Name: 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole
• PubChem CID: 159572771
• Molecular Formula: C81H121F11N14O4S
• Molecular Weight: 1596.00 g/mol
• Exact Mass: 1594.92
• IUPAC Name: 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole
• SMILES: CC(C)(C)C1=CC(F)=NC1.CC(C)(C)C1=CCC(F)=N1.CC(C)(C)C1=CCN=C1F.CC(C)(C)c1cc(F)n[nH]1.CC(C)(C)c1cc(F)no1.CC(C)(C)c1cnc(F)[nH]1.CC(C)(C)c1cnc(F)o1.CC(C)(C)c1coc(F)n1.CC(C)(C)c1conc1F.CC(C)(C)c1csnc1F.Cn1c(C(C)(C)C)cnc1F
• InChI: InChI=1S/C8H13FN2.3C8H12FN.2C7H11FN2.4C7H10FNO.C7H10FNS/c1-8(2,3)6-5-10-7(9)11(6)4;1-8(2,3)6-4-7(9)10-5-6;1-8(2,3)6-4-5-10-7(6)9;1-8(2,3)6-4-5-7(9)10-6;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-6(8)10-9-5;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8;1-7(2,3)5-4-6(8)9-10-5;1-7(2,3)5-4-10-9-6(5)8/h5H,1-4H3;3*4H,5H2,1-3H3;2*4H,1-3H3,(H,9,10);5*4H,1-3H3
• InChIKey: MIAKIWDSPDMGTF-UHFFFAOYSA-N
• XLogP: 23.94
• TPSA: 229.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 17
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1596.00
LogP ≤ 5	23.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole?

The IUPAC name of 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole (CID 159572771) is 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole.

What is the SMILES notation for 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole?

The canonical SMILES for 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole is CC(C)(C)C1=CC(F)=NC1.CC(C)(C)C1=CCC(F)=N1.CC(C)(C)C1=CCN=C1F.CC(C)(C)c1cc(F)n[nH]1.CC(C)(C)c1cc(F)no1.CC(C)(C)c1cnc(F)[nH]1.CC(C)(C)c1cnc(F)o1.CC(C)(C)c1coc(F)n1.CC(C)(C)c1conc1F.CC(C)(C)c1csnc1F.Cn1c(C(C)(C)C)cnc1F.

What is the InChIKey of 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole?

The InChIKey is MIAKIWDSPDMGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2.3C8H12FN.2C7H11FN2.4C7H10FNO.C7H10FNS/c1-8(2,3)6-5-10-7(9)11(6)4;1-8(2,3)6-4-7(9)10-5-6;1-8(2,3)6-4-5-10-7(6)9;1-8(2,3)6-4-5-7(9)10-6;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-6(8)10-9-5;1-7(2,3)5-4-10-6(8)9-5;1-7(2,3)5-4-9-6(8)10-5;1-7(2,3)5-4-10-9-6(5)8;1-7(2,3)5-4-6(8)9-10-5;1-7(2,3)5-4-10-9-6(5)8/h5H,1-4H3;3*4H,5H2,1-3H3;2*4H,1-3H3,(H,9,10);5*4H,1-3H3.

What are the key properties of 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole?

5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole has a molecular weight of 1596.00 g/mol, XLogP of 23.94, 0 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-2-fluoro-1H-imidazole;5-tert-butyl-2-fluoro-1-methylimidazole;4-tert-butyl-2-fluoro-1,3-oxazole;4-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-2-fluoro-1,3-oxazole;5-tert-butyl-3-fluoro-1,2-oxazole;5-tert-butyl-3-fluoro-1H-pyrazole;3-tert-butyl-5-fluoro-2H-pyrrole;4-tert-butyl-5-fluoro-2H-pyrrole;5-tert-butyl-2-fluoro-3H-pyrrole;4-tert-butyl-3-fluoro-1,2-thiazole is sourced from PubChem (CID 159572771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).