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

C65H99N13O4S6 — CID 159097909

IUPACbis(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
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nnn(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/4C6H9NO.6C6H9NS.C5H9N3/c2*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;3*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3;1-4-5(2)8(3)7-6-4/h11*1-3H3
InChIKeyKCXCDNJMPXDAOI-UHFFFAOYSA-N
MW1319.00 g/mol
LogP19.24
Rot. Bonds

About 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

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 (PubChem CID 159097909) has the molecular formula C65H99N13O4S6 and a molecular weight of 1319.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID159097909
Molecular FormulaC65H99N13O4S6
Molecular Weight1319.00 g/mol
Exact Mass1317.63
IUPAC Namebis(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
SMILESCc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nnn(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C
InChIInChI=1S/4C6H9NO.6C6H9NS.C5H9N3/c2*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;3*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3;1-4-5(2)8(3)7-6-4/h11*1-3H3
InChIKeyKCXCDNJMPXDAOI-UHFFFAOYSA-N
XLogP19.24
TPSA212.17 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001319.00
LogP ≤ 519.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 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 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-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(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);3,4,5-trimethyl-1,2-oxazole;bis(2,4,5-trimethyl-1,3-thiazole);3,4,5-trimethyl-1,2-thiazole
CID 157863921
Bis(1,2,4,5-tetramethylimidazole);tris(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 158123472
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);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
1,3-Dimethylpyrazole;1,4-dimethylpyrazole;ethane;2,4,5-trimethyl-1,3-oxazole;bis(3,4,5-trimethyl-1,2-oxazole);bis(2,4,5-trimethyl-1,3-thiazole);2,4,5-trimethyltriazole
CID 159489277
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C)c(C)o1.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nc(C)c(C)s1.Cc1nnn(C)c1C.Cc1noc(C)c1C.Cc1noc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.Cc1nsc(C)c1C.
What is the InChIKey of 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?
The InChIKey is KCXCDNJMPXDAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H9NO.6C6H9NS.C5H9N3/c2*1-4-5(2)8-6(3)7-4;2*1-4-5(2)7-8-6(4)3;3*1-4-5(2)8-6(3)7-4;3*1-4-5(2)7-8-6(4)3;1-4-5(2)8(3)7-6-4/h11*1-3H3.
What are the key properties of 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?
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 has a molecular weight of 1319.00 g/mol, XLogP of 19.24, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159097909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).