2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole

C85H109N23O5S5 — CID 158699222

About 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole

2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (PubChem CID 158699222) has the molecular formula C85H109N23O5S5 and a molecular weight of 1693.30 g/mol. Its IUPAC name is 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
• PubChem CID: 158699222
• Molecular Formula: C85H109N23O5S5
• Molecular Weight: 1693.30 g/mol
• Exact Mass: 1691.76
• IUPAC Name: 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
• SMILES: CC1=CC=NC1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cncs1.Cc1ncc[nH]1.Cc1nccs1.Cc1ncn[nH]1
• InChI: InChI=1S/2C6H7N.2C5H6N2.C5H7N.2C5H6O.2C5H6S.2C4H6N2.3C4H5NO.3C4H5NS.2C3H5N3/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-7-5;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;2*1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-3-2-4-6-5-3/h2*2-5H,1H3;2*2-4H,1H3;2-3H,4H2,1H3;4*2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;2*2H,1H3,(H,4,5,6)
• InChIKey: IHIBLJVNZNPLPM-UHFFFAOYSA-N
• XLogP: 21.62
• TPSA: 373.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 29
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1693.30
LogP ≤ 5	21.62
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?

The IUPAC name of 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole (CID 158699222) is 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole.

What is the SMILES notation for 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?

The canonical SMILES for 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is CC1=CC=NC1.Cc1ccccn1.Cc1cccnc1.Cc1cccnn1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cn[nH]n1.Cc1cncnc1.Cc1cnco1.Cc1cncs1.Cc1cncs1.Cc1ncc[nH]1.Cc1nccs1.Cc1ncn[nH]1.

What is the InChIKey of 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?

The InChIKey is IHIBLJVNZNPLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7N.2C5H6N2.C5H7N.2C5H6O.2C5H6S.2C4H6N2.3C4H5NO.3C4H5NS.2C3H5N3/c1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-2-6-4-7-3-5;1-5-3-2-4-6-7-5;2*1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-4-2-5-6-3-4;1-4-5-2-3-6-4;1-4-2-5-3-6-4;1-4-2-3-6-5-4;1-4-2-3-5-6-4;2*1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3;1-3-2-4-6-5-3/h2*2-5H,1H3;2*2-4H,1H3;2-3H,4H2,1H3;4*2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;2*2H,1H3,(H,4,5,6).

What are the key properties of 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole?

2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole has a molecular weight of 1693.30 g/mol, XLogP of 21.62, 0 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylfuran;3-methylfuran;2-methyl-1H-imidazole;3-methyl-1,2-oxazole;5-methyl-1,2-oxazole;5-methyl-1,3-oxazole;4-methyl-1H-pyrazole;3-methylpyridazine;2-methylpyridine;3-methylpyridine;5-methylpyrimidine;3-methyl-2H-pyrrole;2-methyl-1,3-thiazole;bis(5-methyl-1,3-thiazole);2-methylthiophene;3-methylthiophene;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 158699222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).