ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)

C31H56N4OS2 — CID 158683768

IUPACethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
SMILESCC.CC.CC.CC(C)C1=NCC=C1.CC(C)c1ccno1.CC(C)c1nccs1.CC(C)c1nccs1
InChIInChI=1S/C7H11N.C6H9NO.2C6H9NS.3C2H6/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;3*1-2/h3-4,6H,5H2,1-2H3;3*3-5H,1-2H3;3*1-2H3
InChIKeyIFLWEIZPKYQXTP-UHFFFAOYSA-N
MW564.95 g/mol
LogP11.06
Rot. Bonds4

About ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)

ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) (PubChem CID 158683768) has the molecular formula C31H56N4OS2 and a molecular weight of 564.95 g/mol. Its IUPAC name is ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole).

Molecular Properties

Compound Nameethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
PubChem CID158683768
Molecular FormulaC31H56N4OS2
Molecular Weight564.95 g/mol
Exact Mass564.39
IUPAC Nameethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)
SMILESCC.CC.CC.CC(C)C1=NCC=C1.CC(C)c1ccno1.CC(C)c1nccs1.CC(C)c1nccs1
InChIInChI=1S/C7H11N.C6H9NO.2C6H9NS.3C2H6/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;3*1-2/h3-4,6H,5H2,1-2H3;3*3-5H,1-2H3;3*1-2H3
InChIKeyIFLWEIZPKYQXTP-UHFFFAOYSA-N
XLogP11.06
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.95
LogP ≤ 511.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) with MolForge

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Launch Full Analysis

Related Compounds

5-[1-(5-Ethyl-1,3-thiazol-2-yl)propan-2-yl]-1,2-oxazole
CID 138626517
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
Ethane;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 160280457
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
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

Frequently Asked Questions

What is the IUPAC name of ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)?
The IUPAC name of ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) (CID 158683768) is ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole).
What is the SMILES notation for ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)?
The canonical SMILES for ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) is CC.CC.CC.CC(C)C1=NCC=C1.CC(C)c1ccno1.CC(C)c1nccs1.CC(C)c1nccs1.
What is the InChIKey of ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)?
The InChIKey is IFLWEIZPKYQXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.C6H9NO.2C6H9NS.3C2H6/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-4-7-8-6;2*1-5(2)6-7-3-4-8-6;3*1-2/h3-4,6H,5H2,1-2H3;3*3-5H,1-2H3;3*1-2H3.
What are the key properties of ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole)?
ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) has a molecular weight of 564.95 g/mol, XLogP of 11.06, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-propan-2-yl-1,2-oxazole;5-propan-2-yl-2H-pyrrole;bis(2-propan-2-yl-1,3-thiazole) is sourced from PubChem (CID 158683768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).