2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene

C200H177N15O6 — CID 162016321

About 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene

2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene (PubChem CID 162016321) has the molecular formula C200H177N15O6 and a molecular weight of 2886.71 g/mol. Its IUPAC name is 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene.

Molecular Properties

• Compound Name: 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene
• PubChem CID: 162016321
• Molecular Formula: C200H177N15O6
• Molecular Weight: 2886.71 g/mol
• Exact Mass: 2884.40
• IUPAC Name: 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene
• SMILES: C/C=C/c1ccc(-c2ccccc2)cc1.C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.C/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1cc2ccccc2o1.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccccc1.Cc1ncc(-c2ccccc2)o1.Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1
• InChI: InChI=1S/C25H20.C21H17N3.C19H16.C18H15NO.C16H15N3.C15H13N3.C15H14.C13H12.C12H11NO.C10H10N2O.2C10H9NO.C9H8O.C7H8/c1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-16-22-23-21(24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-12-8-10-14(11-9-12)16-18-17-13(2)19(16)15-6-4-3-5-7-15;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-2-5-10-11-8-6-3-4-7-9(8)12-10;1-7-6-8-4-2-3-5-9(8)10-7;1-7-5-3-2-4-6-7/h2-18H,1H3;2-15H,1H3;2-14H,1H3;2-13H,1H3;3-11H,1-2H3;2-11H,1H3;2-12H,1H3;2-10H,1H3;2-9H,1H3;3-6H,1-2H3;2*2-7H,1H3;2-6H,1H3;2-6H,1H3/b;;;6-2+;;;6-2+;;6-2+;;;5-2+
• InChIKey: YUDQFPZIIQMYEA-HRQOWDCZSA-N
• XLogP: 53.09
• TPSA: 248.31 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 221
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2886.71
LogP ≤ 5	53.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene?

The IUPAC name of 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene (CID 162016321) is 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene.

What is the SMILES notation for 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene?

The canonical SMILES for 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene is C/C=C/c1ccc(-c2ccccc2)cc1.C/C=C/c1ccc(-c2ncc(-c3ccccc3)o2)cc1.C/C=C/c1nc2ccccc2o1.C/C=C/c1ncc(-c2ccccc2)o1.Cc1cc2ccccc2o1.Cc1ccc(-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)n2-c2ccccc2)cc1.Cc1ccc(-c2nnc(C)o2)cc1.Cc1ccccc1.Cc1ncc(-c2ccccc2)o1.Cc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1ccccc1.Cc1nnc(-c2ccccc2)n1-c1ccccc1.

What is the InChIKey of 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene?

The InChIKey is YUDQFPZIIQMYEA-HRQOWDCZSA-N. The full InChI is InChI=1S/C25H20.C21H17N3.C19H16.C18H15NO.C16H15N3.C15H13N3.C15H14.C13H12.C12H11NO.C10H10N2O.2C10H9NO.C9H8O.C7H8/c1-19-7-9-21(10-8-19)23-15-17-25(18-16-23)24-13-11-22(12-14-24)20-5-3-2-4-6-20;1-16-22-23-21(24(16)20-10-6-3-7-11-20)19-14-12-18(13-15-19)17-8-4-2-5-9-17;1-15-7-9-17(10-8-15)19-13-11-18(12-14-19)16-5-3-2-4-6-16;1-2-6-14-9-11-16(12-10-14)18-19-13-17(20-18)15-7-4-3-5-8-15;1-12-8-10-14(11-9-12)16-18-17-13(2)19(16)15-6-4-3-5-7-15;1-12-16-17-15(13-8-4-2-5-9-13)18(12)14-10-6-3-7-11-14;1-2-6-13-9-11-15(12-10-13)14-7-4-3-5-8-14;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;1-2-6-12-13-9-11(14-12)10-7-4-3-5-8-10;1-7-3-5-9(6-4-7)10-12-11-8(2)13-10;1-8-11-7-10(12-8)9-5-3-2-4-6-9;1-2-5-10-11-8-6-3-4-7-9(8)12-10;1-7-6-8-4-2-3-5-9(8)10-7;1-7-5-3-2-4-6-7/h2-18H,1H3;2-15H,1H3;2-14H,1H3;2-13H,1H3;3-11H,1-2H3;2-11H,1H3;2-12H,1H3;2-10H,1H3;2-9H,1H3;3-6H,1-2H3;2*2-7H,1H3;2-6H,1H3;2-6H,1H3/b;;;6-2+;;;6-2+;;6-2+;;;5-2+;;.

What are the key properties of 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene?

2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene has a molecular weight of 2886.71 g/mol, XLogP of 53.09, 23 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-1-benzofuran;3-methyl-4,5-diphenyl-1,2,4-triazole;2-methyl-5-(4-methylphenyl)-1,3,4-oxadiazole;3-methyl-5-(4-methylphenyl)-4-phenyl-1,2,4-triazole;1-methyl-4-phenylbenzene;2-methyl-5-phenyl-1,3-oxazole;1-methyl-4-(4-phenylphenyl)benzene;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;1-phenyl-4-[(E)-prop-1-enyl]benzene;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole;5-phenyl-2-[4-[(E)-prop-1-enyl]phenyl]-1,3-oxazole;2-[(E)-prop-1-enyl]-1,3-benzoxazole;toluene is sourced from PubChem (CID 162016321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).