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

C60H79N15O5S4 — CID 158401138

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

3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;bis(3-methyl-1H-pyrrole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;bis(3-methylthiophene);5-methyl-1H-1,2,4-triazole (PubChem CID 158401138) has the molecular formula C60H79N15O5S4 and a molecular weight of 1218.66 g/mol. Its IUPAC name is 3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;bis(3-methyl-1H-pyrrole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;bis(3-methylthiophene);5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;bis(3-methyl-1H-pyrrole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;bis(3-methylthiophene);5-methyl-1H-1,2,4-triazole
• PubChem CID: 158401138
• Molecular Formula: C60H79N15O5S4
• Molecular Weight: 1218.66 g/mol
• Exact Mass: 1217.53
• IUPAC Name: 3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;bis(3-methyl-1H-pyrrole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;bis(3-methylthiophene);5-methyl-1H-1,2,4-triazole
• SMILES: Cc1cc[nH]c1.Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1ccsc1.Cc1cnco1.Cc1cocn1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1
• InChI: InChI=1S/2C5H7N.C5H6O.2C5H6S.2C4H6N2.4C4H5NO.2C4H5NS.C3H5N3/c5*1-5-2-3-6-4-5;1-4-5-2-3-6-4;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3/h2*2-4,6H,1H3;3*2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;2H,1H3,(H,4,5,6)
• InChIKey: GYCPANFZOFSSFR-UHFFFAOYSA-N
• XLogP: 16.73
• TPSA: 273.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1218.66
LogP ≤ 5	16.73
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

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

The IUPAC name of 3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;bis(3-methyl-1H-pyrrole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;bis(3-methylthiophene);5-methyl-1H-1,2,4-triazole (CID 158401138) is 3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;bis(3-methyl-1H-pyrrole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;bis(3-methylthiophene);5-methyl-1H-1,2,4-triazole.

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

The canonical SMILES for 3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;bis(3-methyl-1H-pyrrole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;bis(3-methylthiophene);5-methyl-1H-1,2,4-triazole is Cc1cc[nH]c1.Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1ccsc1.Cc1cnco1.Cc1cocn1.Cc1cocn1.Cc1cscn1.Cc1ncc[nH]1.Cc1ncco1.Cc1nccs1.Cc1ncn[nH]1.

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

The InChIKey is GYCPANFZOFSSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N.C5H6O.2C5H6S.2C4H6N2.4C4H5NO.2C4H5NS.C3H5N3/c5*1-5-2-3-6-4-5;1-4-5-2-3-6-4;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-6-3-5-4;1-4-5-2-3-6-4;1-3-4-2-5-6-3/h2*2-4,6H,1H3;3*2-4H,1H3;2*2-3H,1H3,(H,5,6);6*2-3H,1H3;2H,1H3,(H,4,5,6).

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

3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;bis(3-methyl-1H-pyrrole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;bis(3-methylthiophene);5-methyl-1H-1,2,4-triazole has a molecular weight of 1218.66 g/mol, XLogP of 16.73, 0 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methylfuran;2-methyl-1H-imidazole;2-methyl-1,3-oxazole;bis(4-methyl-1,3-oxazole);5-methyl-1,3-oxazole;5-methyl-1H-pyrazole;bis(3-methyl-1H-pyrrole);2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;bis(3-methylthiophene);5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 158401138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).