3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene

C51H65N7O6S4 — CID 158604646

About 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene

3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene (PubChem CID 158604646) has the molecular formula C51H65N7O6S4 and a molecular weight of 1000.39 g/mol. Its IUPAC name is 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
• PubChem CID: 158604646
• Molecular Formula: C51H65N7O6S4
• Molecular Weight: 1000.39 g/mol
• Exact Mass: 999.39
• IUPAC Name: 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene
• SMILES: Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1cnoc1.Cc1cnsc1.Cn1cccc1
• InChI: InChI=1S/C5H7NO.C5H7NS.C5H7N.2C5H6O.2C5H6S.3C4H5NO.C4H5NS/c2*1-4-3-5(2)7-6-4;1-6-4-2-3-5-6;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;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4/h2*3H,1-2H3;2-5H,1H3;4*2-4H,1H3;4*2-3H,1H3
• InChIKey: HWBHHYOJBWGWBH-UHFFFAOYSA-N
• XLogP: 15.77
• TPSA: 161.11 Ų
• H-Bond Acceptors: 17
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1000.39
LogP ≤ 5	15.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?

The IUPAC name of 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene (CID 158604646) is 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene.

What is the SMILES notation for 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?

The canonical SMILES for 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene is Cc1cc(C)on1.Cc1cc(C)sn1.Cc1ccco1.Cc1cccs1.Cc1ccno1.Cc1ccoc1.Cc1ccon1.Cc1ccsc1.Cc1cnoc1.Cc1cnsc1.Cn1cccc1.

What is the InChIKey of 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?

The InChIKey is HWBHHYOJBWGWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO.C5H7NS.C5H7N.2C5H6O.2C5H6S.3C4H5NO.C4H5NS/c2*1-4-3-5(2)7-6-4;1-6-4-2-3-5-6;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;1-4-2-3-6-5-4;1-4-2-3-5-6-4;1-4-2-5-6-3-4/h2*3H,1-2H3;2-5H,1H3;4*2-4H,1H3;4*2-3H,1H3.

What are the key properties of 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene?

3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene has a molecular weight of 1000.39 g/mol, XLogP of 15.77, 0 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2-oxazole;3,5-dimethyl-1,2-thiazole;2-methylfuran;3-methylfuran;3-methyl-1,2-oxazole;4-methyl-1,2-oxazole;5-methyl-1,2-oxazole;1-methylpyrrole;4-methyl-1,2-thiazole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 158604646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).