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

C29H41N7O3S3 — CID 160656130

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

3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole) (PubChem CID 160656130) has the molecular formula C29H41N7O3S3 and a molecular weight of 631.89 g/mol. Its IUPAC name is 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole).

Molecular Properties

• Compound Name: 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole)
• PubChem CID: 160656130
• Molecular Formula: C29H41N7O3S3
• Molecular Weight: 631.89 g/mol
• Exact Mass: 631.24
• IUPAC Name: 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole)
• SMILES: Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1cnc(C)o1.Cc1csc(C)n1.Cc1noc(C)n1
• InChI: InChI=1S/2C5H7NO.3C5H7NS.C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;2*1-4-3-5(2)7-6-4;1-3-5-4(2)7-6-3/h5*3H,1-2H3;1-2H3
• InChIKey: RLBMVRWILJNGMI-UHFFFAOYSA-N
• XLogP: 8.55
• TPSA: 129.65 Ų
• H-Bond Acceptors: 13
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	631.89
LogP ≤ 5	8.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole) (CID 160656130) is 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole).

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

The canonical SMILES for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole) is Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cc(C)sn1.Cc1cnc(C)o1.Cc1csc(C)n1.Cc1noc(C)n1.

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

The InChIKey is RLBMVRWILJNGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.3C5H7NS.C4H6N2O/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-7-5(2)6-4;2*1-4-3-5(2)7-6-4;1-3-5-4(2)7-6-3/h5*3H,1-2H3;1-2H3.

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

3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole) has a molecular weight of 631.89 g/mol, XLogP of 8.55, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1,2,4-oxadiazole;2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;2,4-dimethyl-1,3-thiazole;bis(3,5-dimethyl-1,2-thiazole) is sourced from PubChem (CID 160656130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).