2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole

C67H111N11O2S3 — CID 158429944

IUPAC2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole
SMILESCc1cc(C(C)C)n(C)c1C.Cc1nc(C(C)C)c(C)n1C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)s1.Cc1nc(C)c(C(C)C)c(C)n1.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C10H16N2.C10H17N.C9H16N2.2C8H13NO.2C8H13NS.C6H10N2S/c1-6(2)10-7(3)11-9(5)12-8(10)4;1-7(2)10-6-8(3)9(4)11(10)5;1-6(2)9-7(3)11(5)8(4)10-9;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-4(2)6-8-7-5(3)9-6/h6H,1-5H3;6-7H,1-5H3;6H,1-5H3;4*5H,1-4H3;4H,1-3H3
InChIKeyHBNLPXDGGQDUJE-UHFFFAOYSA-N
MW1198.90 g/mol
LogP20.02
Rot. Bonds8

About 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole

2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole (PubChem CID 158429944) has the molecular formula C67H111N11O2S3 and a molecular weight of 1198.90 g/mol. Its IUPAC name is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole.

Molecular Properties

Compound Name2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole
PubChem CID158429944
Molecular FormulaC67H111N11O2S3
Molecular Weight1198.90 g/mol
Exact Mass1197.81
IUPAC Name2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole
SMILESCc1cc(C(C)C)n(C)c1C.Cc1nc(C(C)C)c(C)n1C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)s1.Cc1nc(C)c(C(C)C)c(C)n1.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)s1
InChIInChI=1S/C10H16N2.C10H17N.C9H16N2.2C8H13NO.2C8H13NS.C6H10N2S/c1-6(2)10-7(3)11-9(5)12-8(10)4;1-7(2)10-6-8(3)9(4)11(10)5;1-6(2)9-7(3)11(5)8(4)10-9;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-4(2)6-8-7-5(3)9-6/h6H,1-5H3;6-7H,1-5H3;6H,1-5H3;4*5H,1-4H3;4H,1-3H3
InChIKeyHBNLPXDGGQDUJE-UHFFFAOYSA-N
XLogP20.02
TPSA152.15 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds8
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001198.90
LogP ≤ 520.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole with MolForge

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Related Compounds

3,5-Dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,3,4,5-tetramethylthiophene;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole
CID 157299311
Bis(1,5-dimethyl-2,4-di(propan-2-yl)imidazole);1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;bis(2,4-dimethyl-3,5-di(propan-2-yl)thiophene);3,4-dimethyl-2,5-di(propan-2-yl)thiophene;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(4-methyl-2,5-di(propan-2-yl)-1,3-oxazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-oxazole);bis(4-methyl-2,5-di(propan-2-yl)-1,3-thiazole);bis(5-methyl-2,4-di(propan-2-yl)-1,3-thiazole);bis(1,2,4-trimethyl-3,5-di(propan-2-yl)pyrrole);1,3,4-trimethyl-2,5-di(propan-2-yl)pyrrole
CID 157392256
Ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157552958
1,2,3,4,5-Pentamethylpyrrole;tris(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole);bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 157558308
1,2,3,4,5-Pentamethylpyrrole;tetrakis(1,2,4,5-tetramethylimidazole);3,4,5,6-tetramethylpyridazine;bis(2,4,5-trimethyl-1,3-oxazole);2,4,5-trimethyl-1,3-thiazole
CID 157592169
1,2,3,4,5-pentamethyl-2H-imidazole-1,3-diium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium
CID 158009225
5-Tert-butyl-2,4-dimethyl-1,3-oxazole;1-tert-butyl-2,4,5-trimethylimidazole;4-tert-butyl-1,2,5-trimethylimidazole;5-tert-butyl-1,2,4-trimethylimidazole;4-tert-butyl-1,3,5-trimethylpyrazole;2-tert-butyl-3,4,5-trimethylthiophene
CID 158142311
1,2,3,4,5,6-Hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium
CID 158178496
2,3,4,5,6-Pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium
CID 158302054
1,2,3,5,6-Pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium
CID 158407638
2,5-Dimethyl-4-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;methane;2,3,4,5-tetramethyl-6-propan-2-ylpyridine;2,3,5-trimethyl-6-propan-2-ylpyrazine;2,4,5-trimethyl-6-propan-2-ylpyrimidine
CID 158417149
Ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole
CID 158746381

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole?
The IUPAC name of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole (CID 158429944) is 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole.
What is the SMILES notation for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole?
The canonical SMILES for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole is Cc1cc(C(C)C)n(C)c1C.Cc1nc(C(C)C)c(C)n1C.Cc1nc(C(C)C)c(C)o1.Cc1nc(C(C)C)c(C)s1.Cc1nc(C)c(C(C)C)c(C)n1.Cc1nc(C)c(C(C)C)o1.Cc1nc(C)c(C(C)C)s1.Cc1nnc(C(C)C)s1.
What is the InChIKey of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole?
The InChIKey is HBNLPXDGGQDUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2.C10H17N.C9H16N2.2C8H13NO.2C8H13NS.C6H10N2S/c1-6(2)10-7(3)11-9(5)12-8(10)4;1-7(2)10-6-8(3)9(4)11(10)5;1-6(2)9-7(3)11(5)8(4)10-9;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-5(2)8-6(3)10-7(4)9-8;1-5(2)8-6(3)9-7(4)10-8;1-4(2)6-8-7-5(3)9-6/h6H,1-5H3;6-7H,1-5H3;6H,1-5H3;4*5H,1-4H3;4H,1-3H3.
What are the key properties of 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole?
2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole has a molecular weight of 1198.90 g/mol, XLogP of 20.02, 8 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propan-2-yl-1,3-oxazole;2,5-dimethyl-4-propan-2-yl-1,3-oxazole;2,4-dimethyl-5-propan-2-yl-1,3-thiazole;2,5-dimethyl-4-propan-2-yl-1,3-thiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1,2,5-trimethyl-4-propan-2-ylimidazole;2,4,6-trimethyl-5-propan-2-ylpyrimidine;1,2,3-trimethyl-5-propan-2-ylpyrrole is sourced from PubChem (CID 158429944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).