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

C35H53N11O2S — CID 157058322

IUPACbis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole
SMILESCc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1
InChIInChI=1S/4C5H8N2.2C5H7NO.C5H7NS/c2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;3*1-4-3-7-5(2)6-4/h4*3-4H,1-2H3;3*3H,1-2H3
InChIKeyABABFDHOUVUBFM-UHFFFAOYSA-N
MW691.95 g/mol
LogP7.26
Rot. Bonds

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

bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole (PubChem CID 157058322) has the molecular formula C35H53N11O2S and a molecular weight of 691.95 g/mol. Its IUPAC name is bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Namebis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole
PubChem CID157058322
Molecular FormulaC35H53N11O2S
Molecular Weight691.95 g/mol
Exact Mass691.41
IUPAC Namebis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole
SMILESCc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1
InChIInChI=1S/4C5H8N2.2C5H7NO.C5H7NS/c2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;3*1-4-3-7-5(2)6-4/h4*3-4H,1-2H3;3*3H,1-2H3
InChIKeyABABFDHOUVUBFM-UHFFFAOYSA-N
XLogP7.26
TPSA136.23 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500691.95
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

Bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 157730924
ethane;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;bis(5-methyl-1H-pyrazole);4-methyl-2H-pyrrole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158161833
Bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
CID 158441078
2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;bis(5-methyl-1H-pyrazole);2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole
CID 158773188
Bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);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;1,3,5-trimethylpyrazole
CID 158978232
Bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);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 159365498
Ethane;methane;4-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 159794624
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 160367804
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);3,5-dimethyl-1,2,4-thiadiazole;bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 160428029
2,4-dimethyl-5,6-dihydro-1,3,4-oxadiazine;2,6-dimethyl-4,5-dihydro-3H-pyridazine;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(3,5-dimethyl-1,2,4-thiadiazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 160602771
4-Propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole
CID 160663902
Bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);bis(2,4-dimethyl-1,3-thiazole);bis(1,3-dimethyl-1,2,4-triazole)
CID 160905934

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole?
The IUPAC name of bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole (CID 157058322) is bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole?
The canonical SMILES for bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole is Cc1ccn(C)n1.Cc1ccn(C)n1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1coc(C)n1.Cc1csc(C)n1.
What is the InChIKey of bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole?
The InChIKey is ABABFDHOUVUBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H8N2.2C5H7NO.C5H7NS/c2*1-5-3-6-7(2)4-5;2*1-5-3-4-7(2)6-5;3*1-4-3-7-5(2)6-4/h4*3-4H,1-2H3;3*3H,1-2H3.
What are the key properties of bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole?
bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole has a molecular weight of 691.95 g/mol, XLogP of 7.26, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-dimethyl-1,3-oxazole);bis(1,3-dimethylpyrazole);bis(1,4-dimethylpyrazole);2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 157058322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).