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

C80H136N8O4S4 — CID 159073510

IUPACbis(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
SMILESCc1nc(C(C)C)c(C(C)C)o1.Cc1nc(C(C)C)c(C(C)C)o1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1noc(C(C)C)c1C(C)C.Cc1nsc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C.Cc1snc(C(C)C)c1C(C)C
InChIInChI=1S/4C10H17NO.4C10H17NS/c2*1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4;2*1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4/h8*6-7H,1-5H3
InChIKeyJZYOFXPCMUFGKL-UHFFFAOYSA-N
MW1402.29 g/mol
LogP27.71
Rot. Bonds16

About 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

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 (PubChem CID 159073510) has the molecular formula C80H136N8O4S4 and a molecular weight of 1402.29 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID159073510
Molecular FormulaC80H136N8O4S4
Molecular Weight1402.29 g/mol
Exact Mass1400.96
IUPAC Namebis(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
SMILESCc1nc(C(C)C)c(C(C)C)o1.Cc1nc(C(C)C)c(C(C)C)o1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1noc(C(C)C)c1C(C)C.Cc1nsc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C.Cc1snc(C(C)C)c1C(C)C
InChIInChI=1S/4C10H17NO.4C10H17NS/c2*1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4;2*1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4/h8*6-7H,1-5H3
InChIKeyJZYOFXPCMUFGKL-UHFFFAOYSA-N
XLogP27.71
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001402.29
LogP ≤ 527.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 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 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
Bis(2,3,4,5-tetramethylfuran);bis(2,3,4,5-tetramethylthiophene);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;bis(3,4,5-trimethyl-1,2-thiazole)
CID 157437658
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(2,4,5-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
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;4,5-dimethyl-3-propan-2-yl-1,2-oxazole;bis(3,5-dimethyl-4-propan-2-yl-2H-pyrrole);2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;3,4-dimethyl-5-propan-2-yl-1,2,4-triazole;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;5-methyl-3-propan-2-yl-1,2,4-thiadiazole
CID 159757040

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(C)C)c(C(C)C)o1.Cc1nc(C(C)C)c(C(C)C)o1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1nc(C(C)C)c(C(C)C)s1.Cc1noc(C(C)C)c1C(C)C.Cc1nsc(C(C)C)c1C(C)C.Cc1onc(C(C)C)c1C(C)C.Cc1snc(C(C)C)c1C(C)C.
What is the InChIKey of 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?
The InChIKey is JZYOFXPCMUFGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H17NO.4C10H17NS/c2*1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4;2*1-6(2)9-10(7(3)4)12-8(5)11-9;1-6(2)9-8(5)12-11-10(9)7(3)4;1-6(2)9-8(5)11-12-10(9)7(3)4/h8*6-7H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 1402.29 g/mol, XLogP of 27.71, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159073510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).