ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene

C79H142N10O4S4 — CID 158199734

About ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene

ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene (PubChem CID 158199734) has the molecular formula C79H142N10O4S4 and a molecular weight of 1424.34 g/mol. Its IUPAC name is ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene.

Molecular Properties

• Compound Name: ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
• PubChem CID: 158199734
• Molecular Formula: C79H142N10O4S4
• Molecular Weight: 1424.34 g/mol
• Exact Mass: 1423.01
• IUPAC Name: ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccns1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1
• InChI: InChI=1S/C7H8.2C5H7N.C5H6O.C5H6S.C4H6N2.3C4H5NO.3C4H5NS.12C2H6/c1-7-5-3-2-4-6-7;4*1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;12*1-2/h2-6H,1H3;2*2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;12*1-2H3
• InChIKey: GATZGIBNFUOVFQ-UHFFFAOYSA-N
• XLogP: 28.62
• TPSA: 190.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1424.34
LogP ≤ 5	28.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?

The IUPAC name of ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene (CID 158199734) is ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene.

What is the SMILES notation for ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?

The canonical SMILES for ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc[nH]1.Cc1ccc[nH]1.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccns1.Cc1cnc[nH]1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1.

What is the InChIKey of ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?

The InChIKey is GATZGIBNFUOVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.2C5H7N.C5H6O.C5H6S.C4H6N2.3C4H5NO.3C4H5NS.12C2H6/c1-7-5-3-2-4-6-7;4*1-5-3-2-4-6-5;2*1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4;12*1-2/h2-6H,1H3;2*2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3;12*1-2H3.

What are the key properties of ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene?

ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene has a molecular weight of 1424.34 g/mol, XLogP of 28.62, 0 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-methylfuran;5-methyl-1H-imidazole;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;bis(2-methyl-1H-pyrrole);2-methyl-1,3-thiazole;5-methyl-1,2-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;toluene is sourced from PubChem (CID 158199734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).