4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole

C79H129N11OS4 — CID 161150437

About 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole

4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole (PubChem CID 161150437) has the molecular formula C79H129N11OS4 and a molecular weight of 1377.24 g/mol. Its IUPAC name is 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
• PubChem CID: 161150437
• Molecular Formula: C79H129N11OS4
• Molecular Weight: 1377.24 g/mol
• Exact Mass: 1375.93
• IUPAC Name: 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole
• SMILES: C=CC1=NCC=C1C(C)(C)C.C=Cc1nn(C)cc1C(C)(C)C.CCC1=NC(C(C)(C)C)=CC1.CCc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)s1.Cc1nscc1C(C)(C)C
• InChI: InChI=1S/C10H16N2.C10H15N.C10H17N.C9H16N2.C8H13NO.4C8H13NS/c1-6-9-8(10(2,3)4)7-12(5)11-9;1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6-7H,1H2,2-5H3;5-6H,1,7H2,2-4H3;7H,5-6H2,1-4H3;6H,5H2,1-4H3,(H,10,11);5*5H,1-4H3
• InChIKey: UOPMGXSKZXOTEO-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 148.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 4
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.24
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?

The IUPAC name of 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole (CID 161150437) is 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole.

What is the SMILES notation for 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?

The canonical SMILES for 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole is C=CC1=NCC=C1C(C)(C)C.C=Cc1nn(C)cc1C(C)(C)C.CCC1=NC(C(C)(C)C)=CC1.CCc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)on1.Cc1cc(C(C)(C)C)sn1.Cc1nc(C(C)(C)C)cs1.Cc1ncc(C(C)(C)C)s1.Cc1nscc1C(C)(C)C.

What is the InChIKey of 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?

The InChIKey is UOPMGXSKZXOTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C10H15N.C10H17N.C9H16N2.C8H13NO.4C8H13NS/c1-6-9-8(10(2,3)4)7-12(5)11-9;1-5-9-8(6-7-11-9)10(2,3)4;1-5-8-6-7-9(11-8)10(2,3)4;1-5-7-6-8(11-10-7)9(2,3)4;1-6-5-7(10-9-6)8(2,3)4;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-6-7(5-10-9-6)8(2,3)4;1-6-5-7(10-9-6)8(2,3)4/h6-7H,1H2,2-5H3;5-6H,1,7H2,2-4H3;7H,5-6H2,1-4H3;6H,5H2,1-4H3,(H,10,11);5*5H,1-4H3.

What are the key properties of 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole?

4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole has a molecular weight of 1377.24 g/mol, XLogP of 23.68, 4 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3-ethenyl-1-methylpyrazole;4-tert-butyl-5-ethenyl-2H-pyrrole;3-tert-butyl-5-ethyl-1H-pyrazole;5-tert-butyl-2-ethyl-3H-pyrrole;5-tert-butyl-3-methyl-1,2-oxazole;4-tert-butyl-2-methyl-1,3-thiazole;4-tert-butyl-3-methyl-1,2-thiazole;5-tert-butyl-2-methyl-1,3-thiazole;5-tert-butyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 161150437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).