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

C29H45N11O5 — CID 161490634

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

2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole (PubChem CID 161490634) has the molecular formula C29H45N11O5 and a molecular weight of 627.75 g/mol. Its IUPAC name is 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole.

Molecular Properties

• Compound Name: 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole
• PubChem CID: 161490634
• Molecular Formula: C29H45N11O5
• Molecular Weight: 627.75 g/mol
• Exact Mass: 627.36
• IUPAC Name: 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole
• SMILES: Cc1nc(C)c(C)o1.Cc1nc(C)n(C)c1C.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nonc1C
• InChI: InChI=1S/C7H12N2.C6H9NO.4C4H6N2O/c1-5-6(2)9(4)7(3)8-5;1-4-5(2)8-6(3)7-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-4(2)6-7-5-3/h1-4H3;1-3H3;4*1-2H3
• InChIKey: WFOFOHGDPRHELM-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 199.53 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	627.75
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole (CID 161490634) is 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole.

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

The canonical SMILES for 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole is Cc1nc(C)c(C)o1.Cc1nc(C)n(C)c1C.Cc1nnc(C)o1.Cc1noc(C)n1.Cc1noc(C)n1.Cc1nonc1C.

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

The InChIKey is WFOFOHGDPRHELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H9NO.4C4H6N2O/c1-5-6(2)9(4)7(3)8-5;1-4-5(2)8-6(3)7-4;1-3-5-6-4(2)7-3;2*1-3-5-4(2)7-6-3;1-3-4(2)6-7-5-3/h1-4H3;1-3H3;4*1-2H3.

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

2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole has a molecular weight of 627.75 g/mol, XLogP of 5.69, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1,3,4-oxadiazole;3,4-dimethyl-1,2,5-oxadiazole;bis(3,5-dimethyl-1,2,4-oxadiazole);1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole is sourced from PubChem (CID 161490634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).