ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole

C32H60N4O2S2 — CID 162177279

IUPACethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole
SMILESCC.CC.CC.CC.CC(C)c1ccns1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1nccs1
InChIInChI=1S/2C6H9NO.2C6H9NS.4C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;4*1-2/h4*3-5H,1-2H3;4*1-2H3
InChIKeyZONYAQVFHSFOGZ-UHFFFAOYSA-N
MW596.99 g/mol
LogP12.23
Rot. Bonds4

About ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole

ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole (PubChem CID 162177279) has the molecular formula C32H60N4O2S2 and a molecular weight of 596.99 g/mol. Its IUPAC name is ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole.

Molecular Properties

Compound Nameethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole
PubChem CID162177279
Molecular FormulaC32H60N4O2S2
Molecular Weight596.99 g/mol
Exact Mass596.42
IUPAC Nameethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole
SMILESCC.CC.CC.CC.CC(C)c1ccns1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1nccs1
InChIInChI=1S/2C6H9NO.2C6H9NS.4C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;4*1-2/h4*3-5H,1-2H3;4*1-2H3
InChIKeyZONYAQVFHSFOGZ-UHFFFAOYSA-N
XLogP12.23
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.99
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole with MolForge

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Related Compounds

2-propan-2-yl-1,3,4-oxadiazole;5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole
CID 159561928
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5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
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cumene;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,3-oxazole;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 158161280
2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
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CID 163664751
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CID 66470662
3-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole
CID 174470496
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Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole?
The IUPAC name of ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole (CID 162177279) is ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole.
What is the SMILES notation for ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole?
The canonical SMILES for ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole is CC.CC.CC.CC.CC(C)c1ccns1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1nccs1.
What is the InChIKey of ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole?
The InChIKey is ZONYAQVFHSFOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H9NO.2C6H9NS.4C2H6/c1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;4*1-2/h4*3-5H,1-2H3;4*1-2H3.
What are the key properties of ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole?
ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole has a molecular weight of 596.99 g/mol, XLogP of 12.23, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole is sourced from PubChem (CID 162177279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).