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

C75H124N10O4S — CID 158906464

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

4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole (PubChem CID 158906464) has the molecular formula C75H124N10O4S and a molecular weight of 1261.95 g/mol. Its IUPAC name is 4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole
• PubChem CID: 158906464
• Molecular Formula: C75H124N10O4S
• Molecular Weight: 1261.95 g/mol
• Exact Mass: 1260.95
• IUPAC Name: 4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole
• SMILES: CC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)on1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)o1.Cc1nocc1C(C)(C)C.Cc1nscc1C(C)(C)C
• InChI: InChI=1S/3C9H15N.C8H14N2.4C8H13NO.C8H13NS/c1-7-5-8(6-10-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-8(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;1-6-7(5-10-9-6)8(2,3)4/h2*5H,6H2,1-4H3;6H,5H2,1-4H3;5H,1-4H3,(H,9,10);5*5H,1-4H3
• InChIKey: JGCJPMUZOOWGFI-UHFFFAOYSA-N
• XLogP: 21.53
• TPSA: 182.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1261.95
LogP ≤ 5	21.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

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

The IUPAC name of 4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole (CID 158906464) is 4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole.

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

The canonical SMILES for 4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole is CC1=NC(C(C)(C)C)=CC1.CC1=NCC(C(C)(C)C)=C1.CC1=NCC=C1C(C)(C)C.Cc1cc(C(C)(C)C)n[nH]1.Cc1cc(C(C)(C)C)on1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)o1.Cc1nocc1C(C)(C)C.Cc1nscc1C(C)(C)C.

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

The InChIKey is JGCJPMUZOOWGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H15N.C8H14N2.4C8H13NO.C8H13NS/c1-7-5-8(6-10-7)9(2,3)4;1-7-8(5-6-10-7)9(2,3)4;1-7-5-6-8(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;1-6-7(5-10-9-6)8(2,3)4/h2*5H,6H2,1-4H3;6H,5H2,1-4H3;5H,1-4H3,(H,9,10);5*5H,1-4H3.

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

4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole has a molecular weight of 1261.95 g/mol, XLogP of 21.53, 0 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-2-methyl-1,3-oxazole;4-tert-butyl-3-methyl-1,2-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-5-methyl-1H-pyrazole;3-tert-butyl-5-methyl-2H-pyrrole;4-tert-butyl-5-methyl-2H-pyrrole;5-tert-butyl-2-methyl-3H-pyrrole;4-tert-butyl-3-methyl-1,2-thiazole is sourced from PubChem (CID 158906464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).