2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole

C90H109N13O7 — CID 157423783

About 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole

2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole (PubChem CID 157423783) has the molecular formula C90H109N13O7 and a molecular weight of 1484.95 g/mol. Its IUPAC name is 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole.

Molecular Properties

• Compound Name: 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole
• PubChem CID: 157423783
• Molecular Formula: C90H109N13O7
• Molecular Weight: 1484.95 g/mol
• Exact Mass: 1483.86
• IUPAC Name: 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole
• SMILES: CC1=Nc2ccc(C)cc2C1.CC1CCc2cn(C)nc2C1.Cc1cc2oc(C)nc2cn1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cn(C)nc2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2oc(C)nc2c1.Cc1nc2c(o1)CC(C)CC2.Cc1nc2c(o1)CCC(C)C2.Cc1nc2c(o1)CN(C)CC2
• InChI: InChI=1S/C10H11N.C10H10O.C9H14N2.C9H10N2.C9H13NO.C9H9NO.C9H13NO.C9H9NO.C8H8N2O.C8H12N2O/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-6-8(2)11-10(9)5-7;2*1-7-3-4-8-6-11(2)10-9(8)5-7;2*1-6-3-4-9-8(5-6)10-7(2)11-9;2*1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-3-8-7(4-9-5)10-6(2)11-8;1-6-9-7-3-4-10(2)5-8(7)11-6/h3-5H,6H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;3-5H2,1-2H3
• InChIKey: BPSKDYSQSYSXAR-UHFFFAOYSA-N
• XLogP: 21.04
• TPSA: 233.45 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.95
LogP ≤ 5	21.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole?

The IUPAC name of 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole (CID 157423783) is 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole.

What is the SMILES notation for 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole?

The canonical SMILES for 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole is CC1=Nc2ccc(C)cc2C1.CC1CCc2cn(C)nc2C1.Cc1cc2oc(C)nc2cn1.Cc1ccc2cc(C)oc2c1.Cc1ccc2cn(C)nc2c1.Cc1ccc2nc(C)oc2c1.Cc1ccc2oc(C)nc2c1.Cc1nc2c(o1)CC(C)CC2.Cc1nc2c(o1)CCC(C)C2.Cc1nc2c(o1)CN(C)CC2.

What is the InChIKey of 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole?

The InChIKey is BPSKDYSQSYSXAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.C10H10O.C9H14N2.C9H10N2.C9H13NO.C9H9NO.C9H13NO.C9H9NO.C8H8N2O.C8H12N2O/c1-7-3-4-10-9(5-7)6-8(2)11-10;1-7-3-4-9-6-8(2)11-10(9)5-7;2*1-7-3-4-8-6-11(2)10-9(8)5-7;2*1-6-3-4-9-8(5-6)10-7(2)11-9;2*1-6-3-4-8-9(5-6)11-7(2)10-8;1-5-3-8-7(4-9-5)10-6(2)11-8;1-6-9-7-3-4-10(2)5-8(7)11-6/h3-5H,6H2,1-2H3;3-6H,1-2H3;6-7H,3-5H2,1-2H3;3-6H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;3-5H,1-2H3;3-4H,1-2H3;3-5H2,1-2H3.

What are the key properties of 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole?

2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole has a molecular weight of 1484.95 g/mol, XLogP of 21.04, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;2,5-dimethyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;2,6-dimethylindazole;2,5-dimethyl-3H-indole;2,6-dimethyl-[1,3]oxazolo[4,5-c]pyridine;2,5-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole;2,6-dimethyl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 157423783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).