bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)

C40H60N12O5S3 — CID 158899225

IUPACbis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nnoc1C.Cc1nnoc1C.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C6H9NO.3C6H9NS.4C4H6N2O/c4*1-4-5(2)8-6(3)7-4;2*1-3-5-4(2)7-6-3;2*1-3-4(2)7-6-5-3/h4*1-3H3;4*1-2H3
InChIKeyJFFJIHCQXKDZHH-UHFFFAOYSA-N
MW885.20 g/mol
LogP10.55
Rot. Bonds

About bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)

bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole) (PubChem CID 158899225) has the molecular formula C40H60N12O5S3 and a molecular weight of 885.20 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole).

Molecular Properties

Compound Namebis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)
PubChem CID158899225
Molecular FormulaC40H60N12O5S3
Molecular Weight885.20 g/mol
Exact Mass884.40
IUPAC Namebis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nnoc1C.Cc1nnoc1C.Cc1noc(C)n1.Cc1noc(C)n1
InChIInChI=1S/C6H9NO.3C6H9NS.4C4H6N2O/c4*1-4-5(2)8-6(3)7-4;2*1-3-5-4(2)7-6-3;2*1-3-4(2)7-6-5-3/h4*1-3H3;4*1-2H3
InChIKeyJFFJIHCQXKDZHH-UHFFFAOYSA-N
XLogP10.55
TPSA220.38 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500885.20
LogP ≤ 510.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)?
The IUPAC name of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole) (CID 158899225) is bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole).
What is the SMILES notation for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)?
The canonical SMILES for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole) is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nnoc1C.Cc1nnoc1C.Cc1noc(C)n1.Cc1noc(C)n1.
What is the InChIKey of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)?
The InChIKey is JFFJIHCQXKDZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.3C6H9NS.4C4H6N2O/c4*1-4-5(2)8-6(3)7-4;2*1-3-5-4(2)7-6-3;2*1-3-4(2)7-6-5-3/h4*1-3H3;4*1-2H3.
What are the key properties of bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole)?
bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole) has a molecular weight of 885.20 g/mol, XLogP of 10.55, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1,2,4-oxadiazole);bis(4,5-dimethyloxadiazole);2,4,5-trimethyl-1,3-oxazole;tris(2,4,5-trimethyl-1,3-thiazole) is sourced from PubChem (CID 158899225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).