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

C54H81N9O6S3 — CID 157063284

IUPACtris(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.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/6C6H9NO.3C6H9NS/c3*1-4-5(2)8-6(3)7-4;6*1-4-5(2)7-8-6(4)3/h9*1-3H3
InChIKeyABOORADJHHIEEF-UHFFFAOYSA-N
MW1048.50 g/mol
LogP15.80
Rot. Bonds

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

tris(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 157063284) has the molecular formula C54H81N9O6S3 and a molecular weight of 1048.50 g/mol. Its IUPAC name is tris(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 Nametris(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)
PubChem CID157063284
Molecular FormulaC54H81N9O6S3
Molecular Weight1048.50 g/mol
Exact Mass1047.55
IUPAC Nametris(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.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/6C6H9NO.3C6H9NS/c3*1-4-5(2)8-6(3)7-4;6*1-4-5(2)7-8-6(4)3/h9*1-3H3
InChIKeyABOORADJHHIEEF-UHFFFAOYSA-N
XLogP15.80
TPSA194.85 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.50
LogP ≤ 515.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

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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
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(2-methyl-4,5-di(propan-2-yl)-1,3-oxazole);5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;bis(2-methyl-4,5-di(propan-2-yl)-1,3-thiazole);3-methyl-4,5-di(propan-2-yl)-1,2-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole
CID 157721538
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-methyl-4,5-di(propan-2-yl)-1,3-oxazole);3-methyl-4,5-di(propan-2-yl)-1,2-oxazole;5-methyl-3,4-di(propan-2-yl)-1,2-oxazole;bis(2-methyl-4,5-di(propan-2-yl)-1,3-thiazole);3-methyl-4,5-di(propan-2-yl)-1,2-thiazole;5-methyl-3,4-di(propan-2-yl)-1,2-thiazole
CID 159073510
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
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
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

Frequently Asked Questions

What is the IUPAC name of tris(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 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) is tris(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 tris(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 tris(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.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.
What is the InChIKey of tris(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 ABOORADJHHIEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/6C6H9NO.3C6H9NS/c3*1-4-5(2)8-6(3)7-4;6*1-4-5(2)7-8-6(4)3/h9*1-3H3.
What are the key properties of tris(2,4,5-trimethyl-1,3-oxazole);tris(3,4,5-trimethyl-1,2-oxazole);tris(3,4,5-trimethyl-1,2-thiazole)?
tris(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 1048.50 g/mol, XLogP of 15.80, 0 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris(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 157063284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).