5-tert-butyl-1,2-dimethylimidazole;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 — IUPAC name, SMILES, InChIKey & properties

Name: 5-tert-butyl-1,2-dimethylimidazole;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 — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-tert-butyl-1,2-dimethylimidazole;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

5-tert-butyl-1,2-dimethylimidazole;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 (PubChem CID 160599078) has the molecular formula C76H127N11O4 and a molecular weight of 1258.92 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylimidazole;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.

Molecular Properties

Compound Name	5-tert-butyl-1,2-dimethylimidazole;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
PubChem CID	160599078
Molecular Formula	C76H127N11O4
Molecular Weight	1258.92 g/mol
Exact Mass	1258.01
IUPAC Name	5-tert-butyl-1,2-dimethylimidazole;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
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)n1C.Cc1ncc(C(C)(C)C)o1.Cc1nocc1C(C)(C)C
InChI	InChI=1S/C9H16N2.3C9H15N.C8H14N2.4C8H13NO/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(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/h6H,1-5H3;25H,6H2,1-4H3;6H,5H2,1-4H3;5H,1-4H3,(H,9,10);45H,1-4H3
InChIKey	REAMDUJUFYMWJA-UHFFFAOYSA-N
XLogP	20.81
TPSA	187.70 Å²
H-Bond Donors	1
H-Bond Acceptors	14
Rotatable Bonds
Heavy Atoms	91
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1258.92
LogP ≤ 5	20.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Analyze 5-tert-butyl-1,2-dimethylimidazole;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;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?

The IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;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 (CID 160599078) is 5-tert-butyl-1,2-dimethylimidazole;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.

What is the SMILES notation for 5-tert-butyl-1,2-dimethylimidazole;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?

The canonical SMILES for 5-tert-butyl-1,2-dimethylimidazole;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 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)n1C.Cc1ncc(C(C)(C)C)o1.Cc1nocc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-1,2-dimethylimidazole;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?

The InChIKey is REAMDUJUFYMWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.3C9H15N.C8H14N2.4C8H13NO/c1-7-10-6-8(11(7)5)9(2,3)4;1-7-5-8(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/h6H,1-5H3;2*5H,6H2,1-4H3;6H,5H2,1-4H3;5H,1-4H3,(H,9,10);4*5H,1-4H3.

What are the key properties of 5-tert-butyl-1,2-dimethylimidazole;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?

Where does this data come from?

All data for 5-tert-butyl-1,2-dimethylimidazole;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 is sourced from PubChem (CID 160599078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).