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

C25H35N5OS4 — CID 159027146

IUPAC2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)
SMILESCc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1
InChIInChI=1S/C5H7NO.4C5H7NS/c3*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4/h5*3H,1-2H3
InChIKeyJUKOAKKYOIRNAI-UHFFFAOYSA-N
MW549.86 g/mol
LogP8.33
Rot. Bonds

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

2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole) (PubChem CID 159027146) has the molecular formula C25H35N5OS4 and a molecular weight of 549.86 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole).

Molecular Properties

Compound Name2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)
PubChem CID159027146
Molecular FormulaC25H35N5OS4
Molecular Weight549.86 g/mol
Exact Mass549.17
IUPAC Name2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)
SMILESCc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1
InChIInChI=1S/C5H7NO.4C5H7NS/c3*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4/h5*3H,1-2H3
InChIKeyJUKOAKKYOIRNAI-UHFFFAOYSA-N
XLogP8.33
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.86
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole) with MolForge

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Related Compounds

2,5-dimethyl-1,3-thiazole;ethane
CID 123921924
2,4-dimethyl-1,3-oxazole;bis(2,5-dimethyl-1,3-oxazole);bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole);4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2,4,5-trimethyl-1,3-thiazole
CID 162083327
bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);bis(2,4-dimethyl-1,3-thiazole);2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
CID 161026209
3,5-dimethyl-1,2,4-oxadiazole;3,5-dimethyl-1,2-oxazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole
CID 143924014
bis(2,5-dimethyl-1,3-thiazole);bis(2,4-dimethylthiophene);2,5-dimethylthiophene
CID 158743714
2,4-dimethyl-1,3-thiazole;octane
CID 145323781
2,5-dimethylpyridine;2,5-dimethyl-1,3-thiazole;2,5-dimethylthiophene
CID 160729292
2,4-dimethyl-1,3-thiazole;ethane;methylcyclobutane
CID 143290404
bis(2,5-dimethyl-1,3-thiazole);2,5-dimethylthieno[3,2-b]thiophene;2,5-dimethylthiophene
CID 158724311
2,4-dimethyl-1,3-thiazole;2,5-dimethylthiophene;methane;pentane;propane;1,4-xylene
CID 159820055
2-methyl-4-[[4-(5-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 133351975
2-methyl-4-(5-methyl-1H-imidazol-2-yl)-1,3-oxazole
CID 126495844

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)?
The IUPAC name of 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole) (CID 159027146) is 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole).
What is the SMILES notation for 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)?
The canonical SMILES for 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole) is Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1csc(C)n1.
What is the InChIKey of 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)?
The InChIKey is JUKOAKKYOIRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.4C5H7NS/c3*1-4-3-7-5(2)6-4;2*1-4-3-6-5(2)7-4/h5*3H,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole)?
2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole) has a molecular weight of 549.86 g/mol, XLogP of 8.33, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-oxazole;bis(2,4-dimethyl-1,3-thiazole);bis(2,5-dimethyl-1,3-thiazole) is sourced from PubChem (CID 159027146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).