4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline

C79H71N13O10 — CID 158887210

About 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline

4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline (PubChem CID 158887210) has the molecular formula C79H71N13O10 and a molecular weight of 1362.52 g/mol. Its IUPAC name is 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline.

Molecular Properties

• Compound Name: 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline
• PubChem CID: 158887210
• Molecular Formula: C79H71N13O10
• Molecular Weight: 1362.52 g/mol
• Exact Mass: 1361.54
• IUPAC Name: 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline
• SMILES: Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2n1.Cc1ccc2ocnc2n1.Cc1cccc2c1OCO2.Cc1cccc2cnoc12.Cc1cccc2oncc12.Cc1ccnc2ncoc12.Cc1cnc2ccccc2n1.Cc1cnc2ncoc2c1.Cc1nc2ncccc2o1
• InChI: InChI=1S/C10H9N.C9H8N2.2C8H7NO.2C8H8O2.4C7H6N2O/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-6-10-8-4-2-3-5-9(8)11-7;1-6-3-2-4-8-7(6)5-9-10-8;1-6-3-2-4-7-5-9-10-8(6)7;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7;1-5-2-6-7(8-3-5)9-4-10-6;1-5-2-3-8-7-6(5)10-4-9-7;1-5-2-3-6-7(9-5)8-4-10-6;1-5-9-7-6(10-5)3-2-4-8-7/h2-7H,1H3;2-6H,1H3;2*2-5H,1H3;2*2-4H,5H2,1H3;4*2-4H,1H3
• InChIKey: JDTYNDOORVTARV-UHFFFAOYSA-N
• XLogP: 18.33
• TPSA: 283.33 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.52
LogP ≤ 5	18.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline?

The IUPAC name of 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline (CID 158887210) is 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline.

What is the SMILES notation for 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline?

The canonical SMILES for 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline is Cc1ccc2c(c1)OCO2.Cc1ccc2ccccc2n1.Cc1ccc2ocnc2n1.Cc1cccc2c1OCO2.Cc1cccc2cnoc12.Cc1cccc2oncc12.Cc1ccnc2ncoc12.Cc1cnc2ccccc2n1.Cc1cnc2ncoc2c1.Cc1nc2ncccc2o1.

What is the InChIKey of 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline?

The InChIKey is JDTYNDOORVTARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C9H8N2.2C8H7NO.2C8H8O2.4C7H6N2O/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-7-6-10-8-4-2-3-5-9(8)11-7;1-6-3-2-4-8-7(6)5-9-10-8;1-6-3-2-4-7-5-9-10-8(6)7;1-6-2-3-7-8(4-6)10-5-9-7;1-6-3-2-4-7-8(6)10-5-9-7;1-5-2-6-7(8-3-5)9-4-10-6;1-5-2-3-8-7-6(5)10-4-9-7;1-5-2-3-6-7(9-5)8-4-10-6;1-5-9-7-6(10-5)3-2-4-8-7/h2-7H,1H3;2-6H,1H3;2*2-5H,1H3;2*2-4H,5H2,1H3;4*2-4H,1H3.

What are the key properties of 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline?

4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline has a molecular weight of 1362.52 g/mol, XLogP of 18.33, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole;4-methyl-1,2-benzoxazole;7-methyl-1,2-benzoxazole;2-methyl-[1,3]oxazolo[4,5-b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyridine;6-methyl-[1,3]oxazolo[4,5-b]pyridine;7-methyl-[1,3]oxazolo[4,5-b]pyridine;2-methylquinoline;2-methylquinoxaline is sourced from PubChem (CID 158887210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).