2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole)

C36H52N12O5S3 — CID 169424474

About 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole)

2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole) (PubChem CID 169424474) has the molecular formula C36H52N12O5S3 and a molecular weight of 829.09 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole).

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole)
• PubChem CID: 169424474
• Molecular Formula: C36H52N12O5S3
• Molecular Weight: 829.09 g/mol
• Exact Mass: 828.33
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole)
• SMILES: Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/2C5H7NO.2C5H7NS.3C4H6N2O.C4H6N2S/c4*1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h4*3H,1-2H3;4*1-2H3
• InChIKey: COLPALKSJRFKSD-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 220.38 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	829.09
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole)?

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole) (CID 169424474) is 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole).

What is the SMILES notation for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole)?

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole) is Cc1cnc(C)o1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnc(C)s1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1noc(C)n1.

What is the InChIKey of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole)?

The InChIKey is COLPALKSJRFKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.2C5H7NS.3C4H6N2O.C4H6N2S/c4*1-4-3-6-5(2)7-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3/h4*3H,1-2H3;4*1-2H3.

What are the key properties of 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole)?

2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole) has a molecular weight of 829.09 g/mol, XLogP of 9.32, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);bis(2,5-dimethyl-1,3-oxazole);2,5-dimethyl-1,3,4-thiadiazole;bis(2,5-dimethyl-1,3-thiazole) is sourced from PubChem (CID 169424474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).