2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole

C26H40N12O2S2 — CID 161118297

About 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole

2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole (PubChem CID 161118297) has the molecular formula C26H40N12O2S2 and a molecular weight of 616.82 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole
• PubChem CID: 161118297
• Molecular Formula: C26H40N12O2S2
• Molecular Weight: 616.82 g/mol
• Exact Mass: 616.28
• IUPAC Name: 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole
• SMILES: Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnn(C)n1.Cc1nnnn1C
• InChI: InChI=1S/2C5H7NO.2C5H7NS.2C3H6N4/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3/h4*3H,1-2H3;2*1-2H3
• InChIKey: UKPPEXSBZCJTEL-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 165.04 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	616.82
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole?

The IUPAC name of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole (CID 161118297) is 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole.

What is the SMILES notation for 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole?

The canonical SMILES for 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole is Cc1cc(C)on1.Cc1cc(C)sn1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1nnn(C)n1.Cc1nnnn1C.

What is the InChIKey of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole?

The InChIKey is UKPPEXSBZCJTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7NO.2C5H7NS.2C3H6N4/c1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-4-3-6-5(2)7-4;1-4-3-5(2)7-6-4;1-3-4-5-6-7(3)2;1-3-4-6-7(2)5-3/h4*3H,1-2H3;2*1-2H3.

What are the key properties of 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole?

2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole has a molecular weight of 616.82 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3-oxazole;3,5-dimethyl-1,2-oxazole;1,5-dimethyltetrazole;2,5-dimethyltetrazole;2,5-dimethyl-1,3-thiazole;3,5-dimethyl-1,2-thiazole is sourced from PubChem (CID 161118297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).