2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole

C87H128N18O5S5 — CID 158042715

IUPAC2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1ccc(C)[nH]1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)n1C.Cc1cnc(C)n1C.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1
InChIInChI=1S/C7H11N.2C6H10N2.C6H9N.C6H8O.C6H8S.2C5H8N2.4C5H7NO.4C5H7NS/c1-6-4-5-7(2)8(6)3;2*1-5-4-7-6(2)8(5)3;3*1-5-3-4-6(2)7-5;4*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4/h4-5H,1-3H3;2*4H,1-3H3;3-4,7H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3,(H,6,7);8*3H,1-2H3
InChIKeyFINUTVBEYGTGLK-UHFFFAOYSA-N
MW1666.44 g/mol
LogP23.87
Rot. Bonds

About 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole

2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole (PubChem CID 158042715) has the molecular formula C87H128N18O5S5 and a molecular weight of 1666.44 g/mol. Its IUPAC name is 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole.

Molecular Properties

Compound Name2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole
PubChem CID158042715
Molecular FormulaC87H128N18O5S5
Molecular Weight1666.44 g/mol
Exact Mass1664.89
IUPAC Name2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1ccc(C)[nH]1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)n1C.Cc1cnc(C)n1C.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1
InChIInChI=1S/C7H11N.2C6H10N2.C6H9N.C6H8O.C6H8S.2C5H8N2.4C5H7NO.4C5H7NS/c1-6-4-5-7(2)8(6)3;2*1-5-4-7-6(2)8(5)3;3*1-5-3-4-6(2)7-5;4*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4/h4-5H,1-3H3;2*4H,1-3H3;3-4,7H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3,(H,6,7);8*3H,1-2H3
InChIKeyFINUTVBEYGTGLK-UHFFFAOYSA-N
XLogP23.87
TPSA282.54 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.44
LogP ≤ 523.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole with MolForge

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Related Compounds

2-[4-(furan-2-yl)-5-(1H-imidazol-2-yl)-2-(1,2-oxazol-3-yl)-5-(1H-pyrrol-2-yl)-4-(1,2-thiazol-3-yl)-3-(1,3-thiazol-2-yl)pyrazolidin-1-yl]-1,3-oxazole
CID 140977273
4-[5-[5-(furan-2-yl)-1H-imidazol-2-yl]-4-(1,2-oxazol-3-yl)-3-(1,3-oxazol-2-yl)-5-(1H-pyrrol-2-yl)-1-(1,3-thiazol-2-yl)tetrazolidin-2-yl]oxadiazole
CID 141082646
2-[1-(4,5-dihydro-1,3-oxazol-2-yl)-5-(1,2-oxazol-3-yl)-3-(1H-pyrrol-2-yl)-2-(1,2-thiazol-3-yl)-4-(1,3-thiazol-2-yl)imidazol-2-yl]-1,3-oxazole
CID 141183862
1,2-Dimethylimidazole;1,2-dimethylpyrrole;2-methylfuran;2-methyl-1,3-oxazole;2-methyl-1,3-thiazole;2-methylthiophene
CID 157063946
2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,2-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,2-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyl-1,2,4-triazole;5-tert-butyl-1H-1,2,4-triazole
CID 157077930
bis(4,5-dimethyloxadiazole);1,3-dimethylpyrrole;4,5-dimethyl-2H-triazole;ethane;methane;2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;2-methyl-1,3-oxazole;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;4-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;3-methyl-1,2-thiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;3-methylthiophene
CID 157089703
2-tert-butyl-2,3-dihydropyran-6-one;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-2-ethynyl-1,3-oxazole;4-tert-butyl-3-ethynyl-1,2-oxazole;5-tert-butyl-2-ethynyl-1,3-oxazole;3-tert-butyl-5-ethynyl-2H-pyrrole;bis(4-tert-butyl-5-ethynyl-2H-pyrrole);5-tert-butyl-2-ethynyl-3H-pyrrole
CID 157111476
2-methylfuran;2-methyl-1,3,4-oxadiazole;5-methyl-1,2,4-oxadiazole;2-methyl-1,3-oxazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;2-methyl-1H-pyrrole;2-methyl-1,3,4-thiadiazole;5-methyl-1,2,4-thiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157121352
ethane;bis(5-methyl-2-propan-2-yl-1H-imidazole);1-methyl-3-propan-2-ylimidazolidin-2-one;1-methyl-3-propan-2-ylimidazol-2-one;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-3-propan-2-yl-1,2-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-2H-pyrrole;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yltetrazole;3-methyl-5-propan-2-yl-1,2-thiazole;4-methyl-2-propan-2-yl-1,3-thiazole;4-methyl-3-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-3-propan-2-yl-1,2-thiazole;1-methyl-4-propan-2-yltriazole;1-methyl-5-propan-2-yltriazole;2-methyl-4-propan-2-yltriazole
CID 157139190
2,5-di(propan-2-yl)furan;1,4-di(propan-2-yl)imidazole;2,5-di(propan-2-yl)-1H-imidazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;2,4-di(propan-2-yl)-1,3-oxazole;2,5-di(propan-2-yl)-1,3-oxazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)-1H-pyrrole;2,5-di(propan-2-yl)-1,3,4-thiadiazole;3,5-di(propan-2-yl)-1,2,4-thiadiazole;2,4-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)-1,3-thiazole;2,5-di(propan-2-yl)thiophene
CID 157201203
2-tert-butyl-2,3-dihydropyran-6-one;5-tert-butyl-2-ethenyl-1,3-oxazole;5-tert-butyl-3-ethenyl-1,2-oxazole;5-tert-butyl-2-ethenyl-3H-pyrrole;4-tert-butyl-2-ethenyl-1,3-thiazole;4-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethenyl-1,3-thiazole;5-tert-butyl-3-ethenyl-1,2-thiazole;5-tert-butyl-2-ethynyl-1H-imidazole;4-tert-butyl-5-ethynyl-2H-pyrrole;5-tert-butyl-2-ethynyl-3H-pyrrole
CID 157211642
ethane;2-methylfuran;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;bis(5-methyl-1H-1,2,4-triazole)
CID 157215772

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole?
The IUPAC name of 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole (CID 158042715) is 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole.
What is the SMILES notation for 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole?
The canonical SMILES for 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole is Cc1cc(C)on1.Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1ccc(C)[nH]1.Cc1ccc(C)n1C.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1cnc(C)[nH]1.Cc1cnc(C)[nH]1.Cc1cnc(C)n1C.Cc1cnc(C)n1C.Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.
What is the InChIKey of 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole?
The InChIKey is FINUTVBEYGTGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.2C6H10N2.C6H9N.C6H8O.C6H8S.2C5H8N2.4C5H7NO.4C5H7NS/c1-6-4-5-7(2)8(6)3;2*1-5-4-7-6(2)8(5)3;3*1-5-3-4-6(2)7-5;4*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4;2*1-4-3-6-5(2)7-4;2*1-4-3-5(2)7-6-4/h4-5H,1-3H3;2*4H,1-3H3;3-4,7H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3,(H,6,7);8*3H,1-2H3.
What are the key properties of 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole?
2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole has a molecular weight of 1666.44 g/mol, XLogP of 23.87, 0 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;bis(2,5-dimethyl-1H-imidazole);bis(2,5-dimethyl-1,3-oxazole);bis(3,5-dimethyl-1,2-oxazole);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethyl-1,3-thiazole);bis(3,5-dimethyl-1,2-thiazole);2,5-dimethylthiophene;bis(1,2,5-trimethylimidazole);1,2,5-trimethylpyrrole is sourced from PubChem (CID 158042715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).