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

C58H81N13OS2 — CID 162258350

IUPAC4,5-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
SMILESCc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnoc1C.Cc1nccnc1C.Cc1ncsc1C.Cc1ncsc1C
InChIInChI=1S/C8H10.2C7H9N.C6H8N2.3C5H8N2.C5H7NO.2C5H7NS/c1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;4*1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4/h3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;3*3H,1-2H3,(H,6,7);3*3H,1-2H3
InChIKeyZYWZVPARRAFZPU-UHFFFAOYSA-N
MW1040.51 g/mol
LogP14.68
Rot. Bonds

About 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

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 (PubChem CID 162258350) has the molecular formula C58H81N13OS2 and a molecular weight of 1040.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5-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
PubChem CID162258350
Molecular FormulaC58H81N13OS2
Molecular Weight1040.51 g/mol
Exact Mass1039.61
IUPAC Name4,5-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
SMILESCc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnoc1C.Cc1nccnc1C.Cc1ncsc1C.Cc1ncsc1C
InChIInChI=1S/C8H10.2C7H9N.C6H8N2.3C5H8N2.C5H7NO.2C5H7NS/c1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;4*1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4/h3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;3*3H,1-2H3,(H,6,7);3*3H,1-2H3
InChIKeyZYWZVPARRAFZPU-UHFFFAOYSA-N
XLogP14.68
TPSA189.41 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001040.51
LogP ≤ 514.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

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
2,3-dimethylpyrazine;4,5-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);methane
CID 158000853
3,4-dimethylpyridine;1,2-xylene
CID 158871716
1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene
CID 158785175
bis(2,3-dimethylpyridine);ethane
CID 159594018
2,3-dimethylcyclohexa-2,5-dien-1-one;2,3-dimethylpyrazine;bis(2,3-dimethylpyridine);3,4-dimethylpyridine;5,6-dimethyl-1H-pyridin-2-one;4,5-dimethylpyrimidine;5,6-dimethyl-1H-pyrimidin-2-one
CID 159992863
(Z)-but-2-ene;5,6-dimethyl-1H-benzimidazole;2,3-dimethyl-1-benzothiophene;1,2-dimethylcyclobutane;1,2-dimethylcycloheptene;1,2-dimethylcyclohexane;1,2-dimethylcyclopentane;1,2-dimethylcyclopentene;1,2-dimethylcyclopropane;2,3-dimethyl-5,6-dihydro-4H-cyclopenta[b]thiophene;3,4-dimethyl-2,5-dihydrofuran;2,3-dimethylfuran;4,5-dimethyl-1H-imidazole;2,3-dimethylindazole;1,2-dimethylindole;2,3-dimethyl-1H-indole;6,7-dimethylisoquinoline;2,3-dimethylnaphthalene;3,4-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,3-oxazole;2,3-dimethyl-5-phenylthiophene;2,3-dimethylpyrazine;1,4-dimethylpyrazole;1,5-dimethylpyrazole;tetrakis(4,5-dimethyl-1H-pyrazole);bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);bis(4,5-dimethylpyrimidine);2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-1,3-thiazole);bis(2,3-dimethylthiophene);3,4-dimethylthiophene;1,2-xylene
CID 161377365
2,3-dimethylpyridine;1,4-xylene
CID 174745079
3,4-dimethylpyridine;bis(4,5-dimethylpyrimidine);ethane
CID 158803721
2,3-dimethylacridine;2,3-dimethyl-10H-acridin-9-one;2,3-dimethylanthracene;2,3-dimethylfuran;2,3-dimethylnaphthalene;2,3-dimethylpyridine;3,4-dimethylpyridine;2,3-dimethylthiophene;ethane;1,2-xylene
CID 158411820
4,5-dimethyl-1H-pyrazole;pyridine;sulfuric acid
CID 174823616
2,3-dimethylpyrazine;3,4-dimethylpyridazine;2,3-dimethylpyridine;1,2,3-trimethylbenzene;3,4,5-trimethylpyridazine;2,3,4-trimethylpyridine;3,4,5-trimethylpyridine
CID 158549407

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cn[nH]c1C.Cc1cnoc1C.Cc1nccnc1C.Cc1ncsc1C.Cc1ncsc1C.
What is the InChIKey of 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?
The InChIKey is ZYWZVPARRAFZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.2C7H9N.C6H8N2.3C5H8N2.C5H7NO.2C5H7NS/c1-7-5-3-4-6-8(7)2;1-6-3-4-8-5-7(6)2;1-6-4-3-5-8-7(6)2;1-5-6(2)8-4-3-7-5;4*1-4-3-6-7-5(4)2;2*1-4-5(2)7-3-6-4/h3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3;3*3H,1-2H3,(H,6,7);3*3H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1040.51 g/mol, XLogP of 14.68, 0 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162258350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).