3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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

C51H67N17O6S4 — CID 158131688

About 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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

3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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 (PubChem CID 158131688) has the molecular formula C51H67N17O6S4 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-1,2-oxazole;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.

Molecular Properties

• Compound Name: 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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
• PubChem CID: 158131688
• Molecular Formula: C51H67N17O6S4
• Molecular Weight: 1142.48 g/mol
• Exact Mass: 1141.43
• IUPAC Name: 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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
• SMILES: Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnno1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1ncno1.Cc1ncns1
• InChI: InChI=1S/C5H7N.C5H6O.C5H6S.2C4H6N2.2C4H5NO.2C4H5NS.3C3H4N2O.C3H4N2S/c3*1-5-2-3-6-4-5;1-4-2-5-6-3-4;1-4-2-3-5-6-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;1-4-2-6-3-5-4;1-4-2-5-6-3-4;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);4*2-3H,1H3;4*2H,1H3
• InChIKey: FSVUIZDQVSUVCY-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 306.67 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1142.48
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	3
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-1,2-oxazole;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?

The IUPAC name of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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 (CID 158131688) is 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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.

What is the SMILES notation for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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?

The canonical SMILES for 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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 is Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnno1.Cc1cnoc1.Cc1cnsc1.Cc1cocn1.Cc1conn1.Cc1cscn1.Cc1ncno1.Cc1ncns1.

What is the InChIKey of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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?

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

What are the key properties of 3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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?

3-methylfuran;4-methyloxadiazole;5-methyloxadiazole;5-methyl-1,2,4-oxadiazole;4-methyl-1,2-oxazole;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 has a molecular weight of 1142.48 g/mol, XLogP of 13.25, 0 rotatable bonds, 3 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-1,2-oxazole;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 is sourced from PubChem (CID 158131688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).