4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole

C58H83N7O2S3 — CID 159606204

IUPAC4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole
SMILESCC(C)Cc1cc(-c2ccccc2)on1.CC(C)Cc1ccon1.CC(C)Cc1cnn(C)c1.Cc1nc(-c2ccccc2)sc1CC(C)C.Cc1nc(CC(C)C)cs1.Cc1nc(CC(C)C)cs1
InChIInChI=1S/C14H17NS.C13H15NO.C8H14N2.2C8H13NS.C7H11NO/c1-10(2)9-13-11(3)15-14(16-13)12-7-5-4-6-8-12;1-10(2)8-12-9-13(15-14-12)11-6-4-3-5-7-11;1-7(2)4-8-5-9-10(3)6-8;2*1-6(2)4-8-5-10-7(3)9-8;1-6(2)5-7-3-4-9-8-7/h4-8,10H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3;5-7H,4H2,1-3H3;2*5-6H,4H2,1-3H3;3-4,6H,5H2,1-2H3
InChIKeyMMCMXEKGAITVEB-UHFFFAOYSA-N
MW1006.55 g/mol
LogP16.65
Rot. Bonds14

About 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole

4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole (PubChem CID 159606204) has the molecular formula C58H83N7O2S3 and a molecular weight of 1006.55 g/mol. Its IUPAC name is 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole
PubChem CID159606204
Molecular FormulaC58H83N7O2S3
Molecular Weight1006.55 g/mol
Exact Mass1005.58
IUPAC Name4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole
SMILESCC(C)Cc1cc(-c2ccccc2)on1.CC(C)Cc1ccon1.CC(C)Cc1cnn(C)c1.Cc1nc(-c2ccccc2)sc1CC(C)C.Cc1nc(CC(C)C)cs1.Cc1nc(CC(C)C)cs1
InChIInChI=1S/C14H17NS.C13H15NO.C8H14N2.2C8H13NS.C7H11NO/c1-10(2)9-13-11(3)15-14(16-13)12-7-5-4-6-8-12;1-10(2)8-12-9-13(15-14-12)11-6-4-3-5-7-11;1-7(2)4-8-5-9-10(3)6-8;2*1-6(2)4-8-5-10-7(3)9-8;1-6(2)5-7-3-4-9-8-7/h4-8,10H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3;5-7H,4H2,1-3H3;2*5-6H,4H2,1-3H3;3-4,6H,5H2,1-2H3
InChIKeyMMCMXEKGAITVEB-UHFFFAOYSA-N
XLogP16.65
TPSA108.55 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001006.55
LogP ≤ 516.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol;methane
CID 158966831
2-[4-(4-cyclohexyl-3-methyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]ethanone;2-[4-(5-cyclohexyl-2-methyl-1,3-thiazol-4-yl)phenyl]-1,1,1-trifluoropropan-2-ol;1-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]ethanone;2-[4-(4-cyclohexyl-1,2-oxazol-3-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]propan-2-ol;2-[4-(4-cyclohexyl-1,2-oxazol-5-yl)phenyl]-1,1,1-trifluoropropan-2-ol;2-[4-(4-cyclohexyl-1H-pyrazol-5-yl)phenyl]propan-2-ol
CID 160694640
3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
CID 158343887
3,3-Dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;4-(2,2-dimethylpropyl)-1-methylpyrazole;5-(2,2-dimethylpropyl)-2-phenyl-1,3-thiazole;2-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole
CID 158677300
1-(Difluoromethyl)-3-propan-2-ylpyrazole;2-fluoro-5-propan-2-ylthiophene;3-methyl-5-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 159080378
2,4-Dimethyl-5-(2-methylpropyl)-1,3-thiazole;3-methyl-5-(2-methylpropyl)-1,2-oxazole;5-methyl-3-(2-methylpropyl)-1,2-oxazole;1-methyl-4-(2-methylpropyl)pyrazole
CID 159120662
1,5-dimethyl-3-propan-2-ylpyrazole;3,5-di(propan-2-yl)-1,2-oxazole;1-fluoro-4-propan-2-ylbenzene;3-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-3-propan-2-yl-1H-pyrazole;4-methyl-5-propan-2-yl-1,3-thiazole;2-propan-2-yl-1,3-thiazole
CID 159378018
3,3-Dimethylbutylcyclopropane;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;3-ethyl-5-phenyl-1,2-oxazole
CID 160499861
Cumene;2-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 160842353
3-Bromo-5-(2,2-dimethylpropyl)-1,2-oxazole;3,3-dimethylbutylcyclopropane;2,2-dimethyl-1-phenylpropan-1-ol;2,2-dimethylpropylcyclopropane;5-(2,2-dimethylpropyl)-4-methyl-2-phenyl-1,3-thiazole;4-(2,2-dimethylpropyl)-1-methylpyrazole;bis(4-(2,2-dimethylpropyl)-2-methyl-1,3-thiazole);3-(2,2-dimethylpropyl)-1,2-oxazole;2-(2,2-dimethylpropyl)pyridine;3-(2,2-dimethylpropyl)pyridine;4-(2,2-dimethylpropyl)-1,3,5-trimethylpyrazole;3-ethyl-5-phenyl-1,2-oxazole
CID 160977338
3-Methyl-4-propan-2-yl-1,2-oxazole;5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;4-methyl-5-propan-2-ylthiadiazole;2-methyl-5-propan-2-yl-1,3-thiazole;3-methyl-4-propan-2-yl-1,2-thiazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-5-propan-2-yl-1,2-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;5-methyl-4-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-ylthiophene;4-propan-2-yl-1,2-oxazole;2-propan-2-yl-1,3,4-thiadiazole;5-propan-2-ylthiadiazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;5-propan-2-yl-1,2-thiazole
CID 161677707
3,5-Dimethyl-4-propan-2-yl-1,2-oxazole;3-(4-methylphenyl)-1-propan-2-ylpyrazole;1-(4-methylphenyl)-2-propan-2-ylpyrrole;4-(4-methylphenyl)-2-propan-2-yl-1,3-thiazole
CID 161780839

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole?
The IUPAC name of 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole (CID 159606204) is 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole is CC(C)Cc1cc(-c2ccccc2)on1.CC(C)Cc1ccon1.CC(C)Cc1cnn(C)c1.Cc1nc(-c2ccccc2)sc1CC(C)C.Cc1nc(CC(C)C)cs1.Cc1nc(CC(C)C)cs1.
What is the InChIKey of 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole?
The InChIKey is MMCMXEKGAITVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS.C13H15NO.C8H14N2.2C8H13NS.C7H11NO/c1-10(2)9-13-11(3)15-14(16-13)12-7-5-4-6-8-12;1-10(2)8-12-9-13(15-14-12)11-6-4-3-5-7-11;1-7(2)4-8-5-9-10(3)6-8;2*1-6(2)4-8-5-10-7(3)9-8;1-6(2)5-7-3-4-9-8-7/h4-8,10H,9H2,1-3H3;3-7,9-10H,8H2,1-2H3;5-7H,4H2,1-3H3;2*5-6H,4H2,1-3H3;3-4,6H,5H2,1-2H3.
What are the key properties of 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole?
4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole has a molecular weight of 1006.55 g/mol, XLogP of 16.65, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(2-methylpropyl)-2-phenyl-1,3-thiazole;1-methyl-4-(2-methylpropyl)pyrazole;bis(2-methyl-4-(2-methylpropyl)-1,3-thiazole);3-(2-methylpropyl)-1,2-oxazole;3-(2-methylpropyl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 159606204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).