tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)

C70H111N15O4S3 — CID 162096776

IUPACtetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)
SMILESCc1nc(C)c(C)o1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/4C7H12N2.4C6H9NO.3C6H9NS/c4*1-5-6(2)8-9(4)7(5)3;1-4-5(2)8-6(3)7-4;6*1-4-5(2)7-8-6(4)3/h4*1-4H3;7*1-3H3
InChIKeyZEIUEEXSQMKRLV-UHFFFAOYSA-N
MW1322.96 g/mol
LogP17.99
Rot. Bonds

About tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)

tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole) (PubChem CID 162096776) has the molecular formula C70H111N15O4S3 and a molecular weight of 1322.96 g/mol. Its IUPAC name is tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole).

Molecular Properties

Compound Nametetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)
PubChem CID162096776
Molecular FormulaC70H111N15O4S3
Molecular Weight1322.96 g/mol
Exact Mass1321.81
IUPAC Nametetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)
SMILESCc1nc(C)c(C)o1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/4C7H12N2.4C6H9NO.3C6H9NS/c4*1-5-6(2)8-9(4)7(5)3;1-4-5(2)8-6(3)7-4;6*1-4-5(2)7-8-6(4)3/h4*1-4H3;7*1-3H3
InChIKeyZEIUEEXSQMKRLV-UHFFFAOYSA-N
XLogP17.99
TPSA214.07 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001322.96
LogP ≤ 517.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole) with MolForge

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Related Compounds

1,3,4,5-Tetramethylpyrazole;bis(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2-thiazole
CID 157050964
Tris(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)
CID 157063284
4-Tert-butyl-3,5-dimethyl-1,2-oxazole;4-tert-butyl-2-methyl-5-propan-2-yl-1,3-oxazole;4,5-ditert-butyl-1,3-dimethylpyrazole;4,5-ditert-butyl-1,2-dimethyltriazol-1-ium;4,5-ditert-butyl-2-methyl-1,3-thiazole;4,5-ditert-butyl-3-methyl-1,2-thiazole;4,5-ditert-butyl-1-methyltriazole;4,5-ditert-butylthiadiazole
CID 157296302
3,4-Dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;bis(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);bis(3,4,5-trimethyl-1,2-thiazole)
CID 157554819
Bis(4,5-dimethyloxadiazole);3,4-dimethyl-1,2,5-thiadiazole;bis(4,5-dimethylthiadiazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);3,4,5-trimethyl-1,2-thiazole
CID 158993677
Bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);tris(2,4,5-trimethyl-1,3-thiazole);tris(3,4,5-trimethyl-1,2-thiazole);1,4,5-trimethyltriazole
CID 159097909
Bis(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2-thiazole
CID 159208535
Bis(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;tris(3,4,5-trimethyl-1,2-thiazole)
CID 159491568
3,4-Dimethyl-1,2,5-oxadiazole;4,5-dimethylthiadiazole;tris(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)
CID 159574880
Tetrakis(1,3,4,5-tetramethylpyrazole);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1,2-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole
CID 160527412
Bis(4,5-dimethylthiadiazole);tris(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);3,4,5-trimethyl-1,2-thiazole
CID 161245469
1,3-Ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,4-ditert-butyl-5-methyl-1,3-oxazole;2,5-ditert-butyl-4-methyl-1,3-oxazole;3,5-ditert-butyl-4-methyl-1,2-oxazole
CID 162057659

Frequently Asked Questions

What is the IUPAC name of tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)?
The IUPAC name of tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole) (CID 162096776) is tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole).
What is the SMILES notation for tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)?
The canonical SMILES for tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole) is Cc1nc(C)c(C)o1.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1nn(C)c(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.
What is the InChIKey of tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)?
The InChIKey is ZEIUEEXSQMKRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/4C7H12N2.4C6H9NO.3C6H9NS/c4*1-5-6(2)8-9(4)7(5)3;1-4-5(2)8-6(3)7-4;6*1-4-5(2)7-8-6(4)3/h4*1-4H3;7*1-3H3.
What are the key properties of tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)?
tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole) has a molecular weight of 1322.96 g/mol, XLogP of 17.99, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole) is sourced from PubChem (CID 162096776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).