2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole

C66H116N8O2S2 — CID 158392967

IUPAC2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)CCc1ccn(CCC(C)C)n1.CC(C)CCc1cnc(CCC(C)C)o1.CC(C)CCc1cnc(CCC(C)C)s1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1
InChIInChI=1S/C13H24N2.C13H23NO.C13H23NS.C9H16N2.C9H15NO.C9H15NS/c1-11(2)5-6-13-8-10-15(14-13)9-7-12(3)4;2*1-10(2)5-7-12-9-14-13(15-12)8-6-11(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h8,10-12H,5-7,9H2,1-4H3;2*9-11H,5-8H2,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyGXERXHVQKCPTFO-UHFFFAOYSA-N
MW1117.84 g/mol
LogP20.59
Rot. Bonds24

About 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole

2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole (PubChem CID 158392967) has the molecular formula C66H116N8O2S2 and a molecular weight of 1117.84 g/mol. Its IUPAC name is 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
PubChem CID158392967
Molecular FormulaC66H116N8O2S2
Molecular Weight1117.84 g/mol
Exact Mass1116.87
IUPAC Name2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
SMILESCC(C)CCc1ccn(CCC(C)C)n1.CC(C)CCc1cnc(CCC(C)C)o1.CC(C)CCc1cnc(CCC(C)C)s1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1
InChIInChI=1S/C13H24N2.C13H23NO.C13H23NS.C9H16N2.C9H15NO.C9H15NS/c1-11(2)5-6-13-8-10-15(14-13)9-7-12(3)4;2*1-10(2)5-7-12-9-14-13(15-12)8-6-11(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h8,10-12H,5-7,9H2,1-4H3;2*9-11H,5-8H2,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3
InChIKeyGXERXHVQKCPTFO-UHFFFAOYSA-N
XLogP20.59
TPSA113.48 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds24
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001117.84
LogP ≤ 520.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole with MolForge

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Related Compounds

2,5-Bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 157864099
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158031842
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158093654
Bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
CID 158441078
2,5-Bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 158534205
Bis(2,4-dimethyl-1,3-oxazole);bis(2,5-dimethyl-1,3-oxazole);2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1,3-thiazole;1,3,5-trimethylpyrazole
CID 158978232
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-1H-pyrazole;5-propan-2-yl-1,3-thiazole
CID 160430107
1,4-bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;(E)-2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 161041957
4,5-Dimethyl-2-propan-2-yl-1,3-oxazole;1,5-dimethyl-3-propan-2-ylpyrazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;5-ethyl-1,4-dimethyl-3-propan-2-ylpyrazole;5-ethyl-1-methyl-3-propan-2-ylpyrazole;5-ethyl-4-methyl-2-propan-2-yl-1,3-thiazole
CID 161082091
1,4-Bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 161590814
1,4-Bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole
CID 162258320
1,4-Bis(3-methylbutyl)imidazole;2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;1,4-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;1,4-bis(3-methylbutyl)triazole;2,9-dimethyldec-5-ene;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole;1,4-di(propan-2-yl)triazole;methane
CID 162268849

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?
The IUPAC name of 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole (CID 158392967) is 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?
The canonical SMILES for 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole is CC(C)CCc1ccn(CCC(C)C)n1.CC(C)CCc1cnc(CCC(C)C)o1.CC(C)CCc1cnc(CCC(C)C)s1.CC(C)c1ccn(C(C)C)n1.CC(C)c1cnc(C(C)C)o1.CC(C)c1cnc(C(C)C)s1.
What is the InChIKey of 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?
The InChIKey is GXERXHVQKCPTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2.C13H23NO.C13H23NS.C9H16N2.C9H15NO.C9H15NS/c1-11(2)5-6-13-8-10-15(14-13)9-7-12(3)4;2*1-10(2)5-7-12-9-14-13(15-12)8-6-11(3)4;1-7(2)9-5-6-11(10-9)8(3)4;2*1-6(2)8-5-10-9(11-8)7(3)4/h8,10-12H,5-7,9H2,1-4H3;2*9-11H,5-8H2,1-4H3;5-8H,1-4H3;2*5-7H,1-4H3.
What are the key properties of 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole?
2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole has a molecular weight of 1117.84 g/mol, XLogP of 20.59, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methylbutyl)-1,3-oxazole;1,3-bis(3-methylbutyl)pyrazole;2,5-bis(3-methylbutyl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3-thiazole is sourced from PubChem (CID 158392967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).