2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene

C72H83N9O4S4 — CID 157259763

About 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene

2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene (PubChem CID 157259763) has the molecular formula C72H83N9O4S4 and a molecular weight of 1266.78 g/mol. Its IUPAC name is 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene.

Molecular Properties

• Compound Name: 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene
• PubChem CID: 157259763
• Molecular Formula: C72H83N9O4S4
• Molecular Weight: 1266.78 g/mol
• Exact Mass: 1265.55
• IUPAC Name: 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene
• SMILES: Cc1ccc2ccccc2c1.Cc1ccc[nH]1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1
• InChI: InChI=1S/2C11H10.C7H8.C5H7N.C5H6O.C5H6S.C4H6N2.3C4H5NO.3C4H5NS/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;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;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4/h2*2-8H,1H3;2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3
• InChIKey: AXHXHVMIVHQRHD-UHFFFAOYSA-N
• XLogP: 21.28
• TPSA: 174.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1266.78
LogP ≤ 5	21.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene?

The IUPAC name of 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene (CID 157259763) is 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene.

What is the SMILES notation for 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene?

The canonical SMILES for 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene is Cc1ccc2ccccc2c1.Cc1ccc[nH]1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccn[nH]1.Cc1ccno1.Cc1ccns1.Cc1cnco1.Cc1cncs1.Cc1ncco1.Cc1nccs1.

What is the InChIKey of 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene?

The InChIKey is AXHXHVMIVHQRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H10.C7H8.C5H7N.C5H6O.C5H6S.C4H6N2.3C4H5NO.3C4H5NS/c1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-7-5-3-2-4-6-7;3*1-5-3-2-4-6-5;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;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-5-6-4/h2*2-8H,1H3;2-6H,1H3;2-4,6H,1H3;2*2-4H,1H3;2-3H,1H3,(H,5,6);6*2-3H,1H3.

What are the key properties of 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene?

2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene has a molecular weight of 1266.78 g/mol, XLogP of 21.28, 0 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylfuran;1-methylnaphthalene;2-methylnaphthalene;2-methyl-1,3-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;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;toluene is sourced from PubChem (CID 157259763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).