6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

C199H191FN16O25 — CID 161446825

About 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide

6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (PubChem CID 161446825) has the molecular formula C199H191FN16O25 and a molecular weight of 3225.80 g/mol. Its IUPAC name is 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
• PubChem CID: 161446825
• Molecular Formula: C199H191FN16O25
• Molecular Weight: 3225.80 g/mol
• Exact Mass: 3223.42
• IUPAC Name: 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide
• SMILES: COc1ccc(-c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)cc1.O=C(NCCCCc1ccccc1)n1c(=O)oc2c(-c3ccccc3)cccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(-c3ccc(F)cc3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(-c3ccccc3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(/C=C/C3CCCCC3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(/C=C/c3ccccc3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(CCc3ccccc3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cccc(-c3ccccc3)c21
• InChI: InChI=1S/C26H30N2O3.C26H26N2O3.C26H24N2O3.C25H24N2O4.C24H21FN2O3.3C24H22N2O3/c3*29-25(27-18-8-7-13-20-9-3-1-4-10-20)28-23-17-16-22(19-24(23)31-26(28)30)15-14-21-11-5-2-6-12-21;1-30-21-13-10-19(11-14-21)20-12-15-22-23(17-20)31-25(29)27(22)24(28)26-16-6-5-9-18-7-3-2-4-8-18;25-20-12-9-18(10-13-20)19-11-14-21-22(16-19)30-24(29)27(21)23(28)26-15-5-4-8-17-6-2-1-3-7-17;27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-22-20(19-13-5-2-6-14-19)15-9-16-21(22)29-24(26)28;27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-21-16-9-15-20(22(21)29-24(26)28)19-13-5-2-6-14-19;27-23(25-16-8-7-11-18-9-3-1-4-10-18)26-21-15-14-20(17-22(21)29-24(26)28)19-12-5-2-6-13-19/h1,3-4,9-10,14-17,19,21H,2,5-8,11-13,18H2,(H,27,29);1-6,9-12,16-17,19H,7-8,13-15,18H2,(H,27,29);1-6,9-12,14-17,19H,7-8,13,18H2,(H,27,29);2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28);1-3,6-7,9-14,16H,4-5,8,15H2,(H,26,28);2*1-6,9-11,13-16H,7-8,12,17H2,(H,25,27);1-6,9-10,12-15,17H,7-8,11,16H2,(H,25,27)/b15-14+;;15-14+
• InChIKey: VZZSOGYEZFHGAN-RPVAMOHNSA-N
• XLogP: 40.43
• TPSA: 523.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 53
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3225.80
LogP ≤ 5	40.43
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?

The IUPAC name of 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide (CID 161446825) is 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide.

What is the SMILES notation for 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?

The canonical SMILES for 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is COc1ccc(-c2ccc3c(c2)oc(=O)n3C(=O)NCCCCc2ccccc2)cc1.O=C(NCCCCc1ccccc1)n1c(=O)oc2c(-c3ccccc3)cccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(-c3ccc(F)cc3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(-c3ccccc3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(/C=C/C3CCCCC3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(/C=C/c3ccccc3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(CCc3ccccc3)ccc21.O=C(NCCCCc1ccccc1)n1c(=O)oc2cccc(-c3ccccc3)c21.

What is the InChIKey of 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?

The InChIKey is VZZSOGYEZFHGAN-RPVAMOHNSA-N. The full InChI is InChI=1S/C26H30N2O3.C26H26N2O3.C26H24N2O3.C25H24N2O4.C24H21FN2O3.3C24H22N2O3/c3*29-25(27-18-8-7-13-20-9-3-1-4-10-20)28-23-17-16-22(19-24(23)31-26(28)30)15-14-21-11-5-2-6-12-21;1-30-21-13-10-19(11-14-21)20-12-15-22-23(17-20)31-25(29)27(22)24(28)26-16-6-5-9-18-7-3-2-4-8-18;25-20-12-9-18(10-13-20)19-11-14-21-22(16-19)30-24(29)27(21)23(28)26-15-5-4-8-17-6-2-1-3-7-17;27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-22-20(19-13-5-2-6-14-19)15-9-16-21(22)29-24(26)28;27-23(25-17-8-7-12-18-10-3-1-4-11-18)26-21-16-9-15-20(22(21)29-24(26)28)19-13-5-2-6-14-19;27-23(25-16-8-7-11-18-9-3-1-4-10-18)26-21-15-14-20(17-22(21)29-24(26)28)19-12-5-2-6-13-19/h1,3-4,9-10,14-17,19,21H,2,5-8,11-13,18H2,(H,27,29);1-6,9-12,16-17,19H,7-8,13-15,18H2,(H,27,29);1-6,9-12,14-17,19H,7-8,13,18H2,(H,27,29);2-4,7-8,10-15,17H,5-6,9,16H2,1H3,(H,26,28);1-3,6-7,9-14,16H,4-5,8,15H2,(H,26,28);2*1-6,9-11,13-16H,7-8,12,17H2,(H,25,27);1-6,9-10,12-15,17H,7-8,11,16H2,(H,25,27)/b15-14+;;15-14+;;;;;.

What are the key properties of 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide?

6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide has a molecular weight of 3225.80 g/mol, XLogP of 40.43, 53 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(E)-2-cyclohexylethenyl]-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-fluorophenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;6-(4-methoxyphenyl)-2-oxo-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-[(E)-2-phenylethenyl]-1,3-benzoxazole-3-carboxamide;2-oxo-N-(4-phenylbutyl)-6-(2-phenylethyl)-1,3-benzoxazole-3-carboxamide;2-oxo-4-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-6-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide;2-oxo-7-phenyl-N-(4-phenylbutyl)-1,3-benzoxazole-3-carboxamide is sourced from PubChem (CID 161446825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).