(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate

C145H140N16O17S2 — CID 159932842

About (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate

(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate (PubChem CID 159932842) has the molecular formula C145H140N16O17S2 and a molecular weight of 2442.94 g/mol. Its IUPAC name is (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate.

Molecular Properties

• Compound Name: (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate
• PubChem CID: 159932842
• Molecular Formula: C145H140N16O17S2
• Molecular Weight: 2442.94 g/mol
• Exact Mass: 2441.00
• IUPAC Name: (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate
• SMILES: CCN1C(=O)/C(=C(/C)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)N(C)C1=S.CCN1C(=O)/C(=C\c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)O/C1=N\C(C)C.CCN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)OC1=NOC(=O)c1ccccc1.CCN1C(=O)/C(=C\c2ccc(SC)cc2)N(c2ccccc2)C1=O.CCON=C1O/C(=C/c2cc3c4c(c2)CCCN4CCC3)C(=O)N1CC.CCn1c2ccccc2c2cc(/C(C)=C3/OC(=O)N(C)C3=O)ccc21
• InChI: InChI=1S/C31H25N3O4.C29H31N3O4.C26H23N3OS.C20H25N3O3.C20H18N2O3.C19H18N2O2S/c1-2-33-29(35)28(37-31(33)32-38-30(36)24-12-6-3-7-13-24)22-23-18-20-27(21-19-23)34(25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-6-31-28(33)27(36-29(31)30-20(2)3)19-21-7-9-22(10-8-21)32(23-11-15-25(34-4)16-12-23)24-13-17-26(35-5)18-14-24;1-4-28-25(30)24(27(3)26(28)31)17(2)18-14-15-23-21(16-18)20-12-8-9-13-22(20)29(23)19-10-6-5-7-11-19;1-3-23-19(24)17(26-20(23)21-25-4-2)13-14-11-15-7-5-9-22-10-6-8-16(12-14)18(15)22;1-4-22-16-8-6-5-7-14(16)15-11-13(9-10-17(15)22)12(2)18-19(23)21(3)20(24)25-18;1-3-20-18(22)17(13-14-9-11-16(24-2)12-10-14)21(19(20)23)15-7-5-4-6-8-15/h3-22H,2H2,1H3;7-20H,6H2,1-5H3;5-16H,4H2,1-3H3;11-13H,3-10H2,1-2H3;5-11H,4H2,1-3H3;4-13H,3H2,1-2H3/b28-22+,32-31?;27-19+,30-29-;24-17+;17-13+,21-20?;18-12+;17-13+
• InChIKey: NZWDVLCJIHGHBG-PNIDPODXSA-N
• XLogP: 29.56
• TPSA: 310.05 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2442.94
LogP ≤ 5	29.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate?

The IUPAC name of (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate (CID 159932842) is (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate.

What is the SMILES notation for (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate?

The canonical SMILES for (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate is CCN1C(=O)/C(=C(/C)c2ccc3c(c2)c2ccccc2n3-c2ccccc2)N(C)C1=S.CCN1C(=O)/C(=C\c2ccc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc2)O/C1=N\C(C)C.CCN1C(=O)/C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)OC1=NOC(=O)c1ccccc1.CCN1C(=O)/C(=C\c2ccc(SC)cc2)N(c2ccccc2)C1=O.CCON=C1O/C(=C/c2cc3c4c(c2)CCCN4CCC3)C(=O)N1CC.CCn1c2ccccc2c2cc(/C(C)=C3/OC(=O)N(C)C3=O)ccc21.

What is the InChIKey of (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate?

The InChIKey is NZWDVLCJIHGHBG-PNIDPODXSA-N. The full InChI is InChI=1S/C31H25N3O4.C29H31N3O4.C26H23N3OS.C20H25N3O3.C20H18N2O3.C19H18N2O2S/c1-2-33-29(35)28(37-31(33)32-38-30(36)24-12-6-3-7-13-24)22-23-18-20-27(21-19-23)34(25-14-8-4-9-15-25)26-16-10-5-11-17-26;1-6-31-28(33)27(36-29(31)30-20(2)3)19-21-7-9-22(10-8-21)32(23-11-15-25(34-4)16-12-23)24-13-17-26(35-5)18-14-24;1-4-28-25(30)24(27(3)26(28)31)17(2)18-14-15-23-21(16-18)20-12-8-9-13-22(20)29(23)19-10-6-5-7-11-19;1-3-23-19(24)17(26-20(23)21-25-4-2)13-14-11-15-7-5-9-22-10-6-8-16(12-14)18(15)22;1-4-22-16-8-6-5-7-14(16)15-11-13(9-10-17(15)22)12(2)18-19(23)21(3)20(24)25-18;1-3-20-18(22)17(13-14-9-11-16(24-2)12-10-14)21(19(20)23)15-7-5-4-6-8-15/h3-22H,2H2,1H3;7-20H,6H2,1-5H3;5-16H,4H2,1-3H3;11-13H,3-10H2,1-2H3;5-11H,4H2,1-3H3;4-13H,3H2,1-2H3/b28-22+,32-31?;27-19+,30-29-;24-17+;17-13+,21-20?;18-12+;17-13+.

What are the key properties of (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate?

(5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate has a molecular weight of 2442.94 g/mol, XLogP of 29.56, 28 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-5-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-ylmethylidene)-2-ethoxyimino-3-ethyl-1,3-oxazolidin-4-one;(5E)-5-[1-(9-ethylcarbazol-3-yl)ethylidene]-3-methyl-1,3-oxazolidine-2,4-dione;(5E)-3-ethyl-5-[[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]methylidene]-2-propan-2-ylimino-1,3-oxazolidin-4-one;(5E)-3-ethyl-1-methyl-5-[1-(9-phenylcarbazol-3-yl)ethylidene]-2-sulfanylideneimidazolidin-4-one;(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-1-phenylimidazolidine-2,4-dione;[[(5E)-3-ethyl-4-oxo-5-[[4-(N-phenylanilino)phenyl]methylidene]-1,3-oxazolidin-2-ylidene]amino] benzoate is sourced from PubChem (CID 159932842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).