(5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate

C182H155Br2N15O19 — CID 165035615

About (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate

(5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate (PubChem CID 165035615) has the molecular formula C182H155Br2N15O19 and a molecular weight of 3016.14 g/mol. Its IUPAC name is (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate.

Molecular Properties

• Compound Name: (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate
• PubChem CID: 165035615
• Molecular Formula: C182H155Br2N15O19
• Molecular Weight: 3016.14 g/mol
• Exact Mass: 3012.00
• IUPAC Name: (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate
• SMILES: C=CCN1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3-c2ccccc2)O/C1=N\c1c(Br)cc(Br)cc1C(=O)OC.CCCCOC(=O)c1ccccc1/N=C1\O/C(=C/c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C(=O)N1CCc1ccc(OC)cc1.CCN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)O/C1=N\C1CCCCC1.CCN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)O/C1=N\c1ccccc1C(=O)c1ccccc1.CCc1ccccc1/N=C1\O/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)N1CCc1ccc(OC)cc1.O=C=O
• InChI: InChI=1S/C42H37N3O5.C39H35N3O3.C37H29N3O3.C33H23Br2N3O4.C30H31N3O2.CO2/c1-3-4-26-49-41(47)34-15-8-10-16-36(34)43-42-44(25-24-29-18-21-32(48-2)22-19-29)40(46)39(50-42)28-30-20-23-38-35(27-30)33-14-9-11-17-37(33)45(38)31-12-6-5-7-13-31;1-3-31-12-10-11-17-36(31)40-39-41(27-26-29-20-24-35(44-2)25-21-29)38(43)37(45-39)28-30-18-22-34(23-19-30)42(32-13-6-4-7-14-32)33-15-8-5-9-16-33;1-2-39-36(42)34(43-37(39)38-33-21-13-12-20-32(33)35(41)28-14-6-3-7-15-28)26-27-22-24-31(25-23-27)40(29-16-8-4-9-17-29)30-18-10-5-11-19-30;1-3-15-37-31(39)29(42-33(37)36-30-25(32(40)41-2)18-21(34)19-26(30)35)17-20-13-14-28-24(16-20)23-11-7-8-12-27(23)38(28)22-9-5-4-6-10-22;1-2-32-29(34)28(35-30(32)31-24-12-6-3-7-13-24)22-23-18-20-27(21-19-23)33(25-14-8-4-9-15-25)26-16-10-5-11-17-26;2-1-3/h5-23,27-28H,3-4,24-26H2,1-2H3;4-25,28H,3,26-27H2,1-2H3;3-26H,2H2,1H3;3-14,16-19H,1,15H2,2H3;4-5,8-11,14-22,24H,2-3,6-7,12-13H2,1H3;/b39-28+,43-42-;37-28+,40-39-;34-26+,38-37-;29-17+,36-33-;28-22+,31-30-
• InChIKey: NIHUIYWHNDGIDZ-DLLHNAMXSA-N
• XLogP: 40.68
• TPSA: 351.35 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 41
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3016.14
LogP ≤ 5	40.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate?

The IUPAC name of (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate (CID 165035615) is (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate.

What is the SMILES notation for (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate?

The canonical SMILES for (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate is C=CCN1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3-c2ccccc2)O/C1=N\c1c(Br)cc(Br)cc1C(=O)OC.CCCCOC(=O)c1ccccc1/N=C1\O/C(=C/c2ccc3c(c2)c2ccccc2n3-c2ccccc2)C(=O)N1CCc1ccc(OC)cc1.CCN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)O/C1=N\C1CCCCC1.CCN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)O/C1=N\c1ccccc1C(=O)c1ccccc1.CCc1ccccc1/N=C1\O/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(=O)N1CCc1ccc(OC)cc1.O=C=O.

What is the InChIKey of (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate?

The InChIKey is NIHUIYWHNDGIDZ-DLLHNAMXSA-N. The full InChI is InChI=1S/C42H37N3O5.C39H35N3O3.C37H29N3O3.C33H23Br2N3O4.C30H31N3O2.CO2/c1-3-4-26-49-41(47)34-15-8-10-16-36(34)43-42-44(25-24-29-18-21-32(48-2)22-19-29)40(46)39(50-42)28-30-20-23-38-35(27-30)33-14-9-11-17-37(33)45(38)31-12-6-5-7-13-31;1-3-31-12-10-11-17-36(31)40-39-41(27-26-29-20-24-35(44-2)25-21-29)38(43)37(45-39)28-30-18-22-34(23-19-30)42(32-13-6-4-7-14-32)33-15-8-5-9-16-33;1-2-39-36(42)34(43-37(39)38-33-21-13-12-20-32(33)35(41)28-14-6-3-7-15-28)26-27-22-24-31(25-23-27)40(29-16-8-4-9-17-29)30-18-10-5-11-19-30;1-3-15-37-31(39)29(42-33(37)36-30-25(32(40)41-2)18-21(34)19-26(30)35)17-20-13-14-28-24(16-20)23-11-7-8-12-27(23)38(28)22-9-5-4-6-10-22;1-2-32-29(34)28(35-30(32)31-24-12-6-3-7-13-24)22-23-18-20-27(21-19-23)33(25-14-8-4-9-15-25)26-16-10-5-11-17-26;2-1-3/h5-23,27-28H,3-4,24-26H2,1-2H3;4-25,28H,3,26-27H2,1-2H3;3-26H,2H2,1H3;3-14,16-19H,1,15H2,2H3;4-5,8-11,14-22,24H,2-3,6-7,12-13H2,1H3;/b39-28+,43-42-;37-28+,40-39-;34-26+,38-37-;29-17+,36-33-;28-22+,31-30-;.

What are the key properties of (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate?

(5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate has a molecular weight of 3016.14 g/mol, XLogP of 40.68, 41 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-2-(2-benzoylphenyl)imino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;butyl 2-[[(5E)-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-oxazolidin-2-ylidene]amino]benzoate;carbon dioxide;(5E)-2-cyclohexylimino-3-ethyl-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;(5E)-2-(2-ethylphenyl)imino-3-[2-(4-methoxyphenyl)ethyl]-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-4-one;methyl 3,5-dibromo-2-[[(5E)-4-oxo-5-[(9-phenylcarbazol-3-yl)methylidene]-3-prop-2-enyl-1,3-oxazolidin-2-ylidene]amino]benzoate is sourced from PubChem (CID 165035615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).