2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole

C34H30N2O2 — CID 101135064

About 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole

2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole (PubChem CID 101135064) has the molecular formula C34H30N2O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole.

Molecular Properties

• Compound Name: 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole
• PubChem CID: 101135064
• Molecular Formula: C34H30N2O2
• Molecular Weight: 498.63 g/mol
• Exact Mass: 498.23
• IUPAC Name: 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole
• SMILES: C=C(Cc1cc(-c2ccc(C)cc2)cc2nc(C)oc12)Cc1cc(-c2ccc(C)cc2)cc2nc(C)oc12
• InChI: InChI=1S/C34H30N2O2/c1-20-6-10-25(11-7-20)27-16-29(33-31(18-27)35-23(4)37-33)14-22(3)15-30-17-28(26-12-8-21(2)9-13-26)19-32-34(30)38-24(5)36-32/h6-13,16-19H,3,14-15H2,1-2,4-5H3
• InChIKey: FUEPDPGQEDZJLX-UHFFFAOYSA-N
• XLogP: 8.88
• TPSA: 52.06 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.63
LogP ≤ 5	8.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole?

The IUPAC name of 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole (CID 101135064) is 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole.

What is the SMILES notation for 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole?

The canonical SMILES for 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole is C=C(Cc1cc(-c2ccc(C)cc2)cc2nc(C)oc12)Cc1cc(-c2ccc(C)cc2)cc2nc(C)oc12.

What is the InChIKey of 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole?

The InChIKey is FUEPDPGQEDZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30N2O2/c1-20-6-10-25(11-7-20)27-16-29(33-31(18-27)35-23(4)37-33)14-22(3)15-30-17-28(26-12-8-21(2)9-13-26)19-32-34(30)38-24(5)36-32/h6-13,16-19H,3,14-15H2,1-2,4-5H3.

What are the key properties of 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole?

2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole has a molecular weight of 498.63 g/mol, XLogP of 8.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-7-[2-[[2-methyl-5-(4-methylphenyl)-1,3-benzoxazol-7-yl]methyl]prop-2-enyl]-5-(4-methylphenyl)-1,3-benzoxazole is sourced from PubChem (CID 101135064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).