4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)

C34H66N8OS — CID 159051044

IUPAC4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)
SMILESC.C.C.C.C.Cc1nc(C)n(C)c1C.Cc1ncn(C)c1C.Cc1ncn(C)c1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C7H12N2.2C6H10N2.C5H7NO.C5H7NS.5CH4/c1-5-6(2)9(4)7(3)8-5;2*1-5-6(2)8(3)4-7-5;2*1-4-5(2)7-3-6-4;;;;;/h1-4H3;2*4H,1-3H3;2*3H,1-2H3;5*1H4
InChIKeyJXGRDANQAPREPI-UHFFFAOYSA-N
MW635.02 g/mol
LogP9.65
Rot. Bonds

About 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)

4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole) (PubChem CID 159051044) has the molecular formula C34H66N8OS and a molecular weight of 635.02 g/mol. Its IUPAC name is 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole).

Molecular Properties

Compound Name4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)
PubChem CID159051044
Molecular FormulaC34H66N8OS
Molecular Weight635.02 g/mol
Exact Mass634.51
IUPAC Name4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)
SMILESC.C.C.C.C.Cc1nc(C)n(C)c1C.Cc1ncn(C)c1C.Cc1ncn(C)c1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C7H12N2.2C6H10N2.C5H7NO.C5H7NS.5CH4/c1-5-6(2)9(4)7(3)8-5;2*1-5-6(2)8(3)4-7-5;2*1-4-5(2)7-3-6-4;;;;;/h1-4H3;2*4H,1-3H3;2*3H,1-2H3;5*1H4
InChIKeyJXGRDANQAPREPI-UHFFFAOYSA-N
XLogP9.65
TPSA92.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.02
LogP ≤ 59.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)?
The IUPAC name of 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole) (CID 159051044) is 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole).
What is the SMILES notation for 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)?
The canonical SMILES for 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole) is C.C.C.C.C.Cc1nc(C)n(C)c1C.Cc1ncn(C)c1C.Cc1ncn(C)c1C.Cc1ncoc1C.Cc1ncsc1C.
What is the InChIKey of 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)?
The InChIKey is JXGRDANQAPREPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.2C6H10N2.C5H7NO.C5H7NS.5CH4/c1-5-6(2)9(4)7(3)8-5;2*1-5-6(2)8(3)4-7-5;2*1-4-5(2)7-3-6-4;;;;;/h1-4H3;2*4H,1-3H3;2*3H,1-2H3;5*1H4.
What are the key properties of 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole)?
4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole) has a molecular weight of 635.02 g/mol, XLogP of 9.65, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,3-oxazole;4,5-dimethyl-1,3-thiazole;methane;1,2,4,5-tetramethylimidazole;bis(1,4,5-trimethylimidazole) is sourced from PubChem (CID 159051044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).