[3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate

C133H128N6O20 — CID 162174567

About [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate

[3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate (PubChem CID 162174567) has the molecular formula C133H128N6O20 and a molecular weight of 2130.51 g/mol. Its IUPAC name is [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate
• PubChem CID: 162174567
• Molecular Formula: C133H128N6O20
• Molecular Weight: 2130.51 g/mol
• Exact Mass: 2128.92
• IUPAC Name: [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(O)COc1ccc(-c2nc3cc(C(C)(C)CC)ccc3o2)cc1.C=C(C)C(=O)OCC(O)COc1ccc(-c2nc3ccccc3o2)cc1.C=C(C)C(=O)Oc1ccc(-c2nc3cc(C(C)(C)CC)ccc3o2)cc1.C=C(C)C(=O)Oc1ccc(-c2nc3ccccc3o2)cc1.C=Cc1ccc(COc2ccc(-c3nc4cc(C(C)(C)CC)ccc4o3)cc2)cc1.C=Cc1ccc(COc2ccc(-c3nc4ccccc4o3)cc2)cc1
• InChI: InChI=1S/C27H27NO2.C25H29NO5.C22H23NO3.C22H17NO2.C20H19NO5.C17H13NO3/c1-5-19-7-9-20(10-8-19)18-29-23-14-11-21(12-15-23)26-28-24-17-22(27(3,4)6-2)13-16-25(24)30-26;1-6-25(4,5)18-9-12-22-21(13-18)26-23(31-22)17-7-10-20(11-8-17)29-14-19(27)15-30-24(28)16(2)3;1-6-22(4,5)16-9-12-19-18(13-16)23-20(26-19)15-7-10-17(11-8-15)25-21(24)14(2)3;1-2-16-7-9-17(10-8-16)15-24-19-13-11-18(12-14-19)22-23-20-5-3-4-6-21(20)25-22;1-13(2)20(23)25-12-15(22)11-24-16-9-7-14(8-10-16)19-21-17-5-3-4-6-18(17)26-19;1-11(2)17(19)20-13-9-7-12(8-10-13)16-18-14-5-3-4-6-15(14)21-16/h5,7-17H,1,6,18H2,2-4H3;7-13,19,27H,2,6,14-15H2,1,3-5H3;7-13H,2,6H2,1,3-5H3;2-14H,1,15H2;3-10,15,22H,1,11-12H2,2H3;3-10H,1H2,2H3
• InChIKey: ZOFIPCQKDXMIAV-UHFFFAOYSA-N
• XLogP: 31.16
• TPSA: 338.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 36
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2130.51
LogP ≤ 5	31.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate?

The IUPAC name of [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate (CID 162174567) is [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate.

What is the SMILES notation for [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate?

The canonical SMILES for [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COc1ccc(-c2nc3cc(C(C)(C)CC)ccc3o2)cc1.C=C(C)C(=O)OCC(O)COc1ccc(-c2nc3ccccc3o2)cc1.C=C(C)C(=O)Oc1ccc(-c2nc3cc(C(C)(C)CC)ccc3o2)cc1.C=C(C)C(=O)Oc1ccc(-c2nc3ccccc3o2)cc1.C=Cc1ccc(COc2ccc(-c3nc4cc(C(C)(C)CC)ccc4o3)cc2)cc1.C=Cc1ccc(COc2ccc(-c3nc4ccccc4o3)cc2)cc1.

What is the InChIKey of [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate?

The InChIKey is ZOFIPCQKDXMIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27NO2.C25H29NO5.C22H23NO3.C22H17NO2.C20H19NO5.C17H13NO3/c1-5-19-7-9-20(10-8-19)18-29-23-14-11-21(12-15-23)26-28-24-17-22(27(3,4)6-2)13-16-25(24)30-26;1-6-25(4,5)18-9-12-22-21(13-18)26-23(31-22)17-7-10-20(11-8-17)29-14-19(27)15-30-24(28)16(2)3;1-6-22(4,5)16-9-12-19-18(13-16)23-20(26-19)15-7-10-17(11-8-15)25-21(24)14(2)3;1-2-16-7-9-17(10-8-16)15-24-19-13-11-18(12-14-19)22-23-20-5-3-4-6-21(20)25-22;1-13(2)20(23)25-12-15(22)11-24-16-9-7-14(8-10-16)19-21-17-5-3-4-6-18(17)26-19;1-11(2)17(19)20-13-9-7-12(8-10-13)16-18-14-5-3-4-6-15(14)21-16/h5,7-17H,1,6,18H2,2-4H3;7-13,19,27H,2,6,14-15H2,1,3-5H3;7-13H,2,6H2,1,3-5H3;2-14H,1,15H2;3-10,15,22H,1,11-12H2,2H3;3-10H,1H2,2H3.

What are the key properties of [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate?

[3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate has a molecular weight of 2130.51 g/mol, XLogP of 31.16, 36 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[4-(1,3-benzoxazol-2-yl)phenoxy]-2-hydroxypropyl] 2-methylprop-2-enoate;[4-(1,3-benzoxazol-2-yl)phenyl] 2-methylprop-2-enoate;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-1,3-benzoxazole;2-[4-[(4-ethenylphenyl)methoxy]phenyl]-5-(2-methylbutan-2-yl)-1,3-benzoxazole;[2-hydroxy-3-[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenoxy]propyl] 2-methylprop-2-enoate;[4-[5-(2-methylbutan-2-yl)-1,3-benzoxazol-2-yl]phenyl] 2-methylprop-2-enoate is sourced from PubChem (CID 162174567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).