bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole

C33H57N3O2S — CID 158504821

IUPACbis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)s1
InChIInChI=1S/2C11H19NO.C11H19NS/c2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6/h3*7H,1-6H3
InChIKeyHKIMGWDHRUGPKF-UHFFFAOYSA-N
MW559.91 g/mol
LogP10.28
Rot. Bonds

About bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole

bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole (PubChem CID 158504821) has the molecular formula C33H57N3O2S and a molecular weight of 559.91 g/mol. Its IUPAC name is bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole.

Molecular Properties

Compound Namebis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
PubChem CID158504821
Molecular FormulaC33H57N3O2S
Molecular Weight559.91 g/mol
Exact Mass559.42
IUPAC Namebis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole
SMILESCC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)s1
InChIInChI=1S/2C11H19NO.C11H19NS/c2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6/h3*7H,1-6H3
InChIKeyHKIMGWDHRUGPKF-UHFFFAOYSA-N
XLogP10.28
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.91
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-Propan-2-yl-5-[2-[3-[2-(1,3-thiazol-2-yl)propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazole
CID 137487930
Bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1,3-thiazole
CID 143923976
3,5-Ditert-butyl-1-methylpyrazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole;methane;2,2,6,6-tetramethylheptane-3,5-dione
CID 157527864
2-Ethyl-5-propan-2-yl-1,3,4-thiadiazole;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 158633352
5-Tert-butyl-3-methyl-1,2-thiazole;4-tert-butyl-1,2-oxazole;5-tert-butyl-3-propan-2-yl-1,2-oxazole;2-tert-butyl-1,3-thiazole
CID 159203613
2-(2,2-Dimethylpropyl)-5-methyl-1,3-oxazole;3-(2,2-dimethylpropyl)-5-methyl-1,2-oxazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-thiazole
CID 160006332
5-Tert-butyl-1,3-dimethylpyrazole;3,5-ditert-butyl-1,2-oxazole;2,5-ditert-butyl-1,3-thiazole;propane;2,2,6,6-tetramethylheptane-3,5-dione
CID 160190906
Ethane;methane;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
CID 160612260
4-Iodo-5-methyl-3-propan-2-yl-1,2-oxazole;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-thiazole
CID 161136255
5-Ethyl-2-propan-2-yl-1,3-thiazole;methane;5-methyl-3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 161215550
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;ethane;methane;3-methyl-5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 161245738
4-Iodo-5-[3-(5-methyl-1,3-thiazol-2-yl)butyl]-3-propan-2-yl-1,2-oxazole
CID 166727457

Frequently Asked Questions

What is the IUPAC name of bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole?
The IUPAC name of bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole (CID 158504821) is bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole.
What is the SMILES notation for bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole?
The canonical SMILES for bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole is CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cc(C(C)(C)C)on1.CC(C)(C)c1cnc(C(C)(C)C)s1.
What is the InChIKey of bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole?
The InChIKey is HKIMGWDHRUGPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19NO.C11H19NS/c2*1-10(2,3)8-7-9(13-12-8)11(4,5)6;1-10(2,3)8-7-12-9(13-8)11(4,5)6/h3*7H,1-6H3.
What are the key properties of bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole?
bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole has a molecular weight of 559.91 g/mol, XLogP of 10.28, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-ditert-butyl-1,2-oxazole);2,5-ditert-butyl-1,3-thiazole is sourced from PubChem (CID 158504821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).