2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole

C88H132N20O4S4 — CID 158068743

IUPAC2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole
SMILESCc1cccn1C.Cc1ccn(C)c1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)nc1C.Cc1cncn1C.Cc1cnn(C)c1C.Cc1cnoc1C.Cc1cnsc1C.Cc1conc1C.Cc1csnc1C.Cc1nccn1C.Cc1ncn(C)c1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C7H11N.3C6H10N2.C6H9N.C6H8O.C6H8S.3C5H8N2.3C5H7NO.3C5H7NS/c1-6-4-5-8(3)7(6)2;1-5-6(2)8(3)4-7-5;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-6-4-3-5-7(6)2;2*1-5-3-4-7-6(5)2;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-3-4-6-7(5)2;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2/h4-5H,1-3H3;3*4H,1-3H3;3-5H,1-2H3;5*3-4H,1-2H3;6*3H,1-2H3
InChIKeyFLOFGSOVYSLBAY-UHFFFAOYSA-N
MW1662.43 g/mol
LogP21.69
Rot. Bonds

About 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole

2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole (PubChem CID 158068743) has the molecular formula C88H132N20O4S4 and a molecular weight of 1662.43 g/mol. Its IUPAC name is 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole.

Molecular Properties

Compound Name2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole
PubChem CID158068743
Molecular FormulaC88H132N20O4S4
Molecular Weight1662.43 g/mol
Exact Mass1660.96
IUPAC Name2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole
SMILESCc1cccn1C.Cc1ccn(C)c1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)nc1C.Cc1cncn1C.Cc1cnn(C)c1C.Cc1cnoc1C.Cc1cnsc1C.Cc1conc1C.Cc1csnc1C.Cc1nccn1C.Cc1ncn(C)c1C.Cc1ncoc1C.Cc1ncsc1C
InChIInChI=1S/C7H11N.3C6H10N2.C6H9N.C6H8O.C6H8S.3C5H8N2.3C5H7NO.3C5H7NS/c1-6-4-5-8(3)7(6)2;1-5-6(2)8(3)4-7-5;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-6-4-3-5-7(6)2;2*1-5-3-4-7-6(5)2;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-3-4-6-7(5)2;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2/h4-5H,1-3H3;3*4H,1-3H3;3-5H,1-2H3;5*3-4H,1-2H3;6*3H,1-2H3
InChIKeyFLOFGSOVYSLBAY-UHFFFAOYSA-N
XLogP21.69
TPSA246.68 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms116
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.43
LogP ≤ 521.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole?
The IUPAC name of 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole (CID 158068743) is 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole.
What is the SMILES notation for 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole?
The canonical SMILES for 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole is Cc1cccn1C.Cc1ccn(C)c1C.Cc1ccnn1C.Cc1ccoc1C.Cc1ccsc1C.Cc1cn(C)nc1C.Cc1cncn1C.Cc1cnn(C)c1C.Cc1cnoc1C.Cc1cnsc1C.Cc1conc1C.Cc1csnc1C.Cc1nccn1C.Cc1ncn(C)c1C.Cc1ncoc1C.Cc1ncsc1C.
What is the InChIKey of 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole?
The InChIKey is FLOFGSOVYSLBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.3C6H10N2.C6H9N.C6H8O.C6H8S.3C5H8N2.3C5H7NO.3C5H7NS/c1-6-4-5-8(3)7(6)2;1-5-6(2)8(3)4-7-5;1-5-4-8(3)7-6(5)2;1-5-4-7-8(3)6(5)2;1-6-4-3-5-7(6)2;2*1-5-3-4-7-6(5)2;1-5-3-6-4-7(5)2;1-5-6-3-4-7(5)2;1-5-3-4-6-7(5)2;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;1-4-3-7-6-5(4)2;1-4-3-6-7-5(4)2/h4-5H,1-3H3;3*4H,1-3H3;3-5H,1-2H3;5*3-4H,1-2H3;6*3H,1-2H3.
What are the key properties of 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole?
2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole has a molecular weight of 1662.43 g/mol, XLogP of 21.69, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylfuran;1,2-dimethylimidazole;1,5-dimethylimidazole;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;3,4-dimethyl-1,2-thiazole;4,5-dimethyl-1,2-thiazole;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,4,5-trimethylimidazole;1,3,4-trimethylpyrazole;1,4,5-trimethylpyrazole;1,2,3-trimethylpyrrole is sourced from PubChem (CID 158068743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).