ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)

C27H47N5O2S2 — CID 158441344

IUPACethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
SMILESCC.CC.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nnco1
InChIInChI=1S/C6H9NO.2C6H9NS.C5H8N2O.2C2H6/c1-5(2)6-3-4-8-7-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;2*1-2/h3*3-5H,1-2H3;3-4H,1-2H3;2*1-2H3
InChIKeyHCVVFMQQUQQPCQ-UHFFFAOYSA-N
MW537.84 g/mol
LogP9.58
Rot. Bonds4

About ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)

ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) (PubChem CID 158441344) has the molecular formula C27H47N5O2S2 and a molecular weight of 537.84 g/mol. Its IUPAC name is ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole).

Molecular Properties

Compound Nameethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
PubChem CID158441344
Molecular FormulaC27H47N5O2S2
Molecular Weight537.84 g/mol
Exact Mass537.32
IUPAC Nameethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)
SMILESCC.CC.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nnco1
InChIInChI=1S/C6H9NO.2C6H9NS.C5H8N2O.2C2H6/c1-5(2)6-3-4-8-7-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;2*1-2/h3*3-5H,1-2H3;3-4H,1-2H3;2*1-2H3
InChIKeyHCVVFMQQUQQPCQ-UHFFFAOYSA-N
XLogP9.58
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.84
LogP ≤ 59.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) with MolForge

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Related Compounds

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
2-Methyl-1-(1,2-oxazol-5-yl)propan-1-one;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole
CID 159042422
4-Methyl-3-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
CID 159876471
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
Ethane;3-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 160613838

Frequently Asked Questions

What is the IUPAC name of ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)?
The IUPAC name of ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) (CID 158441344) is ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole).
What is the SMILES notation for ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)?
The canonical SMILES for ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) is CC.CC.CC(C)c1ccon1.CC(C)c1nccs1.CC(C)c1nccs1.CC(C)c1nnco1.
What is the InChIKey of ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)?
The InChIKey is HCVVFMQQUQQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.2C6H9NS.C5H8N2O.2C2H6/c1-5(2)6-3-4-8-7-6;2*1-5(2)6-7-3-4-8-6;1-4(2)5-7-6-3-8-5;2*1-2/h3*3-5H,1-2H3;3-4H,1-2H3;2*1-2H3.
What are the key properties of ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole)?
ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) has a molecular weight of 537.84 g/mol, XLogP of 9.58, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-propan-2-yl-1,3,4-oxadiazole;3-propan-2-yl-1,2-oxazole;bis(2-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 158441344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).