1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane

C65H136N6OS — CID 158043964

IUPAC1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane
SMILESCCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.Cc1[nH]c(C(C)C)nc1C(C)C.Cc1c(C(C)C)nn(C)c1C(C)C.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)sc1C(C)C
InChIInChI=1S/C11H20N2.C10H18N2.C10H17NO.C10H17NS.8C3H8/c1-7(2)10-9(5)11(8(3)4)13(6)12-10;3*1-6(2)9-8(5)11-10(12-9)7(3)4;8*1-3-2/h7-8H,1-6H3;6-7H,1-5H3,(H,11,12);2*6-7H,1-5H3;8*3H2,1-2H3
InChIKeyFIRKVGGUCZOBRK-UHFFFAOYSA-N
MW1049.91 g/mol
LogP24.20
Rot. Bonds8

About 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane

1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane (PubChem CID 158043964) has the molecular formula C65H136N6OS and a molecular weight of 1049.91 g/mol. Its IUPAC name is 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane.

Molecular Properties

Compound Name1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane
PubChem CID158043964
Molecular FormulaC65H136N6OS
Molecular Weight1049.91 g/mol
Exact Mass1049.05
IUPAC Name1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane
SMILESCCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.Cc1[nH]c(C(C)C)nc1C(C)C.Cc1c(C(C)C)nn(C)c1C(C)C.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)sc1C(C)C
InChIInChI=1S/C11H20N2.C10H18N2.C10H17NO.C10H17NS.8C3H8/c1-7(2)10-9(5)11(8(3)4)13(6)12-10;3*1-6(2)9-8(5)11-10(12-9)7(3)4;8*1-3-2/h7-8H,1-6H3;6-7H,1-5H3,(H,11,12);2*6-7H,1-5H3;8*3H2,1-2H3
InChIKeyFIRKVGGUCZOBRK-UHFFFAOYSA-N
XLogP24.20
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001049.91
LogP ≤ 524.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane with MolForge

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Related Compounds

methane;2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)
CID 157493914
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
2,4,5-tri(propan-2-yl)-1H-imidazole;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);bis(1,3,4-tri(propan-2-yl)pyrazole);bis(2,4,5-tri(propan-2-yl)-1,3-thiazole)
CID 157746771
1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;ethane;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole
CID 158389756
2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
CID 159406312
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);3,4,5-trimethyl-1,2,4-triazole
CID 159531703
methane;2,4,5-tri(propan-2-yl)-1H-imidazole;2,4,5-tri(propan-2-yl)-1,3-oxazole;bis(1,3,4-tri(propan-2-yl)pyrazole);1,3,4-tri(propan-2-yl)pyrrole;2,4,5-tri(propan-2-yl)-1,3-thiazole;2,4,5-tri(propan-2-yl)triazole
CID 159745651
Bis(1,2,3,4,5-pentamethylpyrrole);tris(1,2,4,5-tetramethylimidazole);1,3,4,5-tetramethylpyrazole;bis(2,4,5-trimethyl-1,3-oxazole);bis(2,4,5-trimethyl-1,3-thiazole)
CID 160111833
3,5-dimethyl-1,2,4-oxadiazole;1,2,4,5-tetramethylimidazole;1,3,4,5-tetramethylpyrazole;2,4,5-trimethyl-1H-imidazole;2,4,5-trimethyl-1,3-oxazole;3,4,5-trimethyl-1H-pyrazole;2,4,5-trimethyl-1,3-thiazole
CID 160899363
1,2,3,4,5-Pentamethylimidazol-1-ium;1,2,3,4,5-pentamethylpyrrole;tris(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
CID 161232679
1,2,3,4,5-Pentamethylimidazol-1-ium;1,2,3,4,5-pentamethylpyrrole;tris(1,3,4,5-tetramethylpyrazole);2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2,4-triazole
CID 161450496
2,4-Dimethyl-5-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;3,4-dimethyl-5-propan-2-yl-1,2-thiazole;3,5-dimethyl-4-propan-2-yl-1,2-thiazole;4,5-dimethyl-2-propan-2-yl-1,3-thiazole;4,5-dimethyl-3-propan-2-yl-1,2-thiazole;1,4-dimethyl-5-propan-2-yltriazole;1,5-dimethyl-3-propan-2-yl-1,2,4-triazole;1,5-dimethyl-4-propan-2-yltriazole;2,4-dimethyl-5-propan-2-yltriazole;3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;4,5-dimethyl-1-propan-2-yltriazole;4,5-dimethyl-2-propan-2-yltriazole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole
CID 167655307

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane?
The IUPAC name of 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane (CID 158043964) is 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane.
What is the SMILES notation for 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane?
The canonical SMILES for 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane is CCC.CCC.CCC.CCC.CCC.CCC.CCC.CCC.Cc1[nH]c(C(C)C)nc1C(C)C.Cc1c(C(C)C)nn(C)c1C(C)C.Cc1nc(C(C)C)oc1C(C)C.Cc1nc(C(C)C)sc1C(C)C.
What is the InChIKey of 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane?
The InChIKey is FIRKVGGUCZOBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2.C10H18N2.C10H17NO.C10H17NS.8C3H8/c1-7(2)10-9(5)11(8(3)4)13(6)12-10;3*1-6(2)9-8(5)11-10(12-9)7(3)4;8*1-3-2/h7-8H,1-6H3;6-7H,1-5H3,(H,11,12);2*6-7H,1-5H3;8*3H2,1-2H3.
What are the key properties of 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane?
1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane has a molecular weight of 1049.91 g/mol, XLogP of 24.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,5-di(propan-2-yl)pyrazole;5-methyl-2,4-di(propan-2-yl)-1H-imidazole;4-methyl-2,5-di(propan-2-yl)-1,3-oxazole;4-methyl-2,5-di(propan-2-yl)-1,3-thiazole;propane is sourced from PubChem (CID 158043964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).