3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole

C50H67N19O5S4 — CID 157469261

About 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole

3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole (PubChem CID 157469261) has the molecular formula C50H67N19O5S4 and a molecular weight of 1142.48 g/mol. Its IUPAC name is 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole.

Molecular Properties

• Compound Name: 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole
• PubChem CID: 157469261
• Molecular Formula: C50H67N19O5S4
• Molecular Weight: 1142.48 g/mol
• Exact Mass: 1141.45
• IUPAC Name: 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole
• SMILES: Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnno1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1ncn[nH]1.Cc1ncno1.Cc1ncns1
• InChI: InChI=1S/C5H7N.C5H6O.C5H6S.2C4H6N2.C4H5NO.2C4H5NS.C3H5N3.3C3H4N2O.C3H4N2S/c3*1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-6-3-4;2*1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-3-4-2-5-6-3/h2-4,6H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3;2H,1H3,(H,4,5,6);4*2H,1H3
• InChIKey: BUVIPDDRQRDBKC-UHFFFAOYSA-N
• XLogP: 12.38
• TPSA: 322.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1142.48
LogP ≤ 5	12.38
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole?

The IUPAC name of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole (CID 157469261) is 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole.

What is the SMILES notation for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole?

The canonical SMILES for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole is Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnno1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1ncn[nH]1.Cc1ncno1.Cc1ncns1.

What is the InChIKey of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole?

The InChIKey is BUVIPDDRQRDBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.C5H6O.C5H6S.2C4H6N2.C4H5NO.2C4H5NS.C3H5N3.3C3H4N2O.C3H4N2S/c3*1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;2*1-4-2-6-3-5-4;1-4-2-5-6-3-4;2*1-3-4-2-5-6-3;1-3-2-6-5-4-3;1-3-2-4-5-6-3;1-3-4-2-5-6-3/h2-4,6H,1H3;2*2-4H,1H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3;2H,1H3,(H,4,5,6);4*2H,1H3.

What are the key properties of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole?

3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole has a molecular weight of 1142.48 g/mol, XLogP of 12.38, 0 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;5-methyl-1,2,4-thiadiazole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene;5-methyl-1H-1,2,4-triazole is sourced from PubChem (CID 157469261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).