3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene

C73H126N16O5S5 — CID 161442913

About 3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene

3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene (PubChem CID 161442913) has the molecular formula C73H126N16O5S5 and a molecular weight of 1468.25 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene.

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
• PubChem CID: 161442913
• Molecular Formula: C73H126N16O5S5
• Molecular Weight: 1468.25 g/mol
• Exact Mass: 1466.87
• IUPAC Name: 3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1ncoc1C.Cc1ncoc1C.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/2C5H7NO.C5H7N.C5H6O.C5H6S.C4H6N2O.2C4H6N2S.2C4H6N2.C4H5NO.2C4H5NS.8C2H6/c2*1-4-5(2)7-3-6-4;3*1-5-2-3-6-4-5;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;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;8*1-2/h2*3H,1-2H3;2-4,6H,1H3;2*2-4H,1H3;3*1-2H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3;8*1-2H3
• InChIKey: VZNCDVQCZGYSQD-UHFFFAOYSA-N
• XLogP: 24.08
• TPSA: 280.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1468.25
LogP ≤ 5	24.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene (CID 161442913) is 3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene.

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

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene is CC.CC.CC.CC.CC.CC.CC.CC.Cc1cc[nH]c1.Cc1ccn[nH]1.Cc1ccoc1.Cc1ccsc1.Cc1cn[nH]c1.Cc1cnsc1.Cc1cocn1.Cc1cscn1.Cc1ncoc1C.Cc1ncoc1C.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1.

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

The InChIKey is VZNCDVQCZGYSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.C5H7N.C5H6O.C5H6S.C4H6N2O.2C4H6N2S.2C4H6N2.C4H5NO.2C4H5NS.8C2H6/c2*1-4-5(2)7-3-6-4;3*1-5-2-3-6-4-5;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;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;8*1-2/h2*3H,1-2H3;2-4,6H,1H3;2*2-4H,1H3;3*1-2H3;2*2-3H,1H3,(H,5,6);3*2-3H,1H3;8*1-2H3.

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

3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene has a molecular weight of 1468.25 g/mol, XLogP of 24.08, 0 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;bis(4,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;ethane;3-methylfuran;4-methyl-1,3-oxazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;3-methyl-1H-pyrrole;4-methyl-1,2-thiazole;4-methyl-1,3-thiazole;3-methylthiophene is sourced from PubChem (CID 161442913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).