1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene

C153H270N20O5S4 — CID 157397824

IUPAC1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)s1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C12H20S.5C11H20N2.4C11H19NO.2C11H19NS.C10H18N2O.C10H18N2S/c1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6/h4*7-8H,1-6H3;2*7H,1-6H3,(H,12,13);6*7H,1-6H3;2*1-6H3
InChIKeyBMUBBEJBEWWHCM-UHFFFAOYSA-N
MW2598.25 g/mol
LogP45.51
Rot. Bonds

About 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene

1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene (PubChem CID 157397824) has the molecular formula C153H270N20O5S4 and a molecular weight of 2598.25 g/mol. Its IUPAC name is 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene.

Molecular Properties

Compound Name1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene
PubChem CID157397824
Molecular FormulaC153H270N20O5S4
Molecular Weight2598.25 g/mol
Exact Mass2596.04
IUPAC Name1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene
SMILESCC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)s1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1
InChIInChI=1S/C12H20S.5C11H20N2.4C11H19NO.2C11H19NS.C10H18N2O.C10H18N2S/c1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6/h4*7-8H,1-6H3;2*7H,1-6H3,(H,12,13);6*7H,1-6H3;2*1-6H3
InChIKeyBMUBBEJBEWWHCM-UHFFFAOYSA-N
XLogP45.51
TPSA305.42 Ų
H-Bond Donors2
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms182
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002598.25
LogP ≤ 545.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1027

Analyze 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene?
The IUPAC name of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene (CID 157397824) is 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene.
What is the SMILES notation for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene?
The canonical SMILES for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene is CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)[nH]n1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1ccc(C(C)(C)C)s1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.
What is the InChIKey of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene?
The InChIKey is BMUBBEJBEWWHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20S.5C11H20N2.4C11H19NO.2C11H19NS.C10H18N2O.C10H18N2S/c1-11(2,3)9-7-8-10(13-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6/h4*7-8H,1-6H3;2*7H,1-6H3,(H,12,13);6*7H,1-6H3;2*1-6H3.
What are the key properties of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene?
1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene has a molecular weight of 2598.25 g/mol, XLogP of 45.51, 0 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(2,5-ditert-butyl-1,3-oxazole);bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;bis(3,5-ditert-butyl-1H-pyrazole);2,5-ditert-butyl-1,3,4-thiadiazole;bis(2,5-ditert-butyl-1,3-thiazole);2,5-ditert-butylthiophene is sourced from PubChem (CID 157397824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).