2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine

C50H53N13O3 — CID 158231672

About 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine

2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 158231672) has the molecular formula C50H53N13O3 and a molecular weight of 884.06 g/mol. Its IUPAC name is 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

• Compound Name: 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine
• PubChem CID: 158231672
• Molecular Formula: C50H53N13O3
• Molecular Weight: 884.06 g/mol
• Exact Mass: 883.44
• IUPAC Name: 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine
• SMILES: Cc1cc2nc(C)oc2cn1.Cc1ccc2nc(C)cn2c1.Cc1ccc2nc(C)oc2n1.Cc1ccc2nn(C)nc2c1.Cc1ccn2cc(C)nc2c1.Cc1cnc2oc(C)nc2c1
• InChI: InChI=1S/2C9H10N2.C8H9N3.3C8H8N2O/c1-7-3-4-11-6-8(2)10-9(11)5-7;1-7-3-4-9-10-8(2)6-11(9)5-7;1-6-3-4-7-8(5-6)10-11(2)9-7;1-5-3-7-8(4-9-5)11-6(2)10-7;1-5-3-7-8(9-4-5)11-6(2)10-7;1-5-3-4-7-8(9-5)11-6(2)10-7/h2*3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3
• InChIKey: GELJQSSDDQWNJK-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 182.07 Ų
• H-Bond Acceptors: 16
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	884.06
LogP ≤ 5	10.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine?

The IUPAC name of 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine (CID 158231672) is 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine.

What is the SMILES notation for 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine?

The canonical SMILES for 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine is Cc1cc2nc(C)oc2cn1.Cc1ccc2nc(C)cn2c1.Cc1ccc2nc(C)oc2n1.Cc1ccc2nn(C)nc2c1.Cc1ccn2cc(C)nc2c1.Cc1cnc2oc(C)nc2c1.

What is the InChIKey of 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine?

The InChIKey is GELJQSSDDQWNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H10N2.C8H9N3.3C8H8N2O/c1-7-3-4-11-6-8(2)10-9(11)5-7;1-7-3-4-9-10-8(2)6-11(9)5-7;1-6-3-4-7-8(5-6)10-11(2)9-7;1-5-3-7-8(4-9-5)11-6(2)10-7;1-5-3-7-8(9-4-5)11-6(2)10-7;1-5-3-4-7-8(9-5)11-6(2)10-7/h2*3-6H,1-2H3;3-5H,1-2H3;3*3-4H,1-2H3.

What are the key properties of 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine?

2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 884.06 g/mol, XLogP of 10.70, 0 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylbenzotriazole;2,6-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;2,5-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-b]pyridine;2,6-dimethyl-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 158231672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).