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

C48H72N8O5S3 — CID 159208535

IUPACbis(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
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/5C6H9NO.3C6H9NS/c2*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3/h8*1-3H3
InChIKeyKQEQGHIRDPSPTF-UHFFFAOYSA-N
MW937.36 g/mol
LogP14.20
Rot. Bonds

About 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

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 (PubChem CID 159208535) has the molecular formula C48H72N8O5S3 and a molecular weight of 937.36 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID159208535
Molecular FormulaC48H72N8O5S3
Molecular Weight937.36 g/mol
Exact Mass936.48
IUPAC Namebis(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
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/5C6H9NO.3C6H9NS/c2*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3/h8*1-3H3
InChIKeyKQEQGHIRDPSPTF-UHFFFAOYSA-N
XLogP14.20
TPSA168.82 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500937.36
LogP ≤ 514.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 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(2,3,4,5-tetramethylfuran);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;tris(3,4,5-trimethyl-1,2-thiazole)
CID 157668559
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);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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.
What is the InChIKey of 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?
The InChIKey is KQEQGHIRDPSPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/5C6H9NO.3C6H9NS/c2*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3;2*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3/h8*1-3H3.
What are the key properties of 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?
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 has a molecular weight of 937.36 g/mol, XLogP of 14.20, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159208535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).