4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene

C56H78N12OS2 — CID 158592026

IUPAC4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene
SMILESC.Cc1ccccc1.Cc1cccnc1.Cc1cccnc1.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnccn1.Cc1cnoc1C.Cc1ncsc1C
InChIInChI=1S/C7H8.2C6H7N.C6H8S.3C5H8N2.C5H6N2.C5H7NO.C5H7NS.CH4/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;1-5-3-4-7-6(5)2;3*1-4-3-6-7-5(4)2;1-5-4-6-2-3-7-5;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;/h2-6H,1H3;2*2-5H,1H3;3-4H,1-2H3;3*3H,1-2H3,(H,6,7);2-4H,1H3;2*3H,1-2H3;1H4
InChIKeyHUOHSGXOIIXESN-UHFFFAOYSA-N
MW999.46 g/mol
LogP14.69
Rot. Bonds

About 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene

4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene (PubChem CID 158592026) has the molecular formula C56H78N12OS2 and a molecular weight of 999.46 g/mol. Its IUPAC name is 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene.

Molecular Properties

Compound Name4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene
PubChem CID158592026
Molecular FormulaC56H78N12OS2
Molecular Weight999.46 g/mol
Exact Mass998.59
IUPAC Name4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene
SMILESC.Cc1ccccc1.Cc1cccnc1.Cc1cccnc1.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnccn1.Cc1cnoc1C.Cc1ncsc1C
InChIInChI=1S/C7H8.2C6H7N.C6H8S.3C5H8N2.C5H6N2.C5H7NO.C5H7NS.CH4/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;1-5-3-4-7-6(5)2;3*1-4-3-6-7-5(4)2;1-5-4-6-2-3-7-5;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;/h2-6H,1H3;2*2-5H,1H3;3-4H,1-2H3;3*3H,1-2H3,(H,6,7);2-4H,1H3;2*3H,1-2H3;1H4
InChIKeyHUOHSGXOIIXESN-UHFFFAOYSA-N
XLogP14.69
TPSA176.52 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms71
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500999.46
LogP ≤ 514.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene with MolForge

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Related Compounds

2-methyl-1H-imidazole;5-methyl-1,2-oxazole;5-methyl-1H-pyrazole;2-methyl-1H-pyrrole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
CID 157166609
4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 157353170
4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;methane;1,2-xylene
CID 158017064
4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,2-thiazole;2,3-dimethylthiophene;1,2-xylene
CID 158163068
4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;1,2-xylene
CID 159953543
4,5-dimethyl-1,2-oxazole;2,3-dimethylpyrazine;tris(4,5-dimethyl-1H-pyrazole);2,3-dimethylpyridine;3,4-dimethylpyridine;bis(4,5-dimethyl-1,3-thiazole);1,2-xylene
CID 162258350

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene?
The IUPAC name of 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene (CID 158592026) is 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene.
What is the SMILES notation for 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene?
The canonical SMILES for 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene is C.Cc1ccccc1.Cc1cccnc1.Cc1cccnc1.Cc1ccsc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnccn1.Cc1cnoc1C.Cc1ncsc1C.
What is the InChIKey of 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene?
The InChIKey is HUOHSGXOIIXESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C6H7N.C6H8S.3C5H8N2.C5H6N2.C5H7NO.C5H7NS.CH4/c1-7-5-3-2-4-6-7;2*1-6-3-2-4-7-5-6;1-5-3-4-7-6(5)2;3*1-4-3-6-7-5(4)2;1-5-4-6-2-3-7-5;1-4-3-6-7-5(4)2;1-4-5(2)7-3-6-4;/h2-6H,1H3;2*2-5H,1H3;3-4H,1-2H3;3*3H,1-2H3,(H,6,7);2-4H,1H3;2*3H,1-2H3;1H4.
What are the key properties of 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene?
4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene has a molecular weight of 999.46 g/mol, XLogP of 14.69, 0 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,2-oxazole;tris(4,5-dimethyl-1H-pyrazole);4,5-dimethyl-1,3-thiazole;2,3-dimethylthiophene;methane;2-methylpyrazine;bis(3-methylpyridine);toluene is sourced from PubChem (CID 158592026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).