(5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one

C108H91N7O18S6 — CID 161217541

About (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one

(5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one (PubChem CID 161217541) has the molecular formula C108H91N7O18S6 and a molecular weight of 1967.35 g/mol. Its IUPAC name is (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one.

Molecular Properties

• Compound Name: (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one
• PubChem CID: 161217541
• Molecular Formula: C108H91N7O18S6
• Molecular Weight: 1967.35 g/mol
• Exact Mass: 1965.47
• IUPAC Name: (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one
• SMILES: C/C(=C1\OC(=S)N(CO)C1=O)c1cc(C)c2oc3c(C)cccc3c2c1.C=CCN1C(=O)/C(=C2/CCCc3cc4ccccc4cc32)OC1=S.CCN1C(=O)/C(=C2/CCCc3cc4ccccc4cc32)SC1=S.CCN1C(=O)O/C(=C/c2ccc3oc4ccccc4c3c2)C1=O.COc1ccc(/C=C2/OC(=S)N(C(C)=O)C2=O)cc1.COc1ccc(/C=C2/OC(=S)N(CCc3ccncc3)C2=O)cc1
• InChI: InChI=1S/C20H17NO4S.C20H17NO2S.C19H17NOS2.C18H16N2O3S.C18H13NO4.C13H11NO4S/c1-10-5-4-6-14-15-8-13(7-11(2)17(15)24-16(10)14)12(3)18-19(23)21(9-22)20(26)25-18;1-2-10-21-19(22)18(23-20(21)24)16-9-5-8-15-11-13-6-3-4-7-14(13)12-17(15)16;1-2-20-18(21)17(23-19(20)22)15-9-5-8-14-10-12-6-3-4-7-13(12)11-16(14)15;1-22-15-4-2-14(3-5-15)12-16-17(21)20(18(24)23-16)11-8-13-6-9-19-10-7-13;1-2-19-17(20)16(23-18(19)21)10-11-7-8-15-13(9-11)12-5-3-4-6-14(12)22-15;1-8(15)14-12(16)11(18-13(14)19)7-9-3-5-10(17-2)6-4-9/h4-8,22H,9H2,1-3H3;2-4,6-7,11-12H,1,5,8-10H2;3-4,6-7,10-11H,2,5,8-9H2,1H3;2-7,9-10,12H,8,11H2,1H3;3-10H,2H2,1H3;3-7H,1-2H3/b18-12+;18-16+;17-15+;16-12+;16-10+;11-7+
• InChIKey: UXBLHUALUCQBDA-XEVFOXBYSA-N
• XLogP: 21.48
• TPSA: 280.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 14
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1967.35
LogP ≤ 5	21.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one?

The IUPAC name of (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one (CID 161217541) is (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one.

What is the SMILES notation for (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one?

The canonical SMILES for (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one is C/C(=C1\OC(=S)N(CO)C1=O)c1cc(C)c2oc3c(C)cccc3c2c1.C=CCN1C(=O)/C(=C2/CCCc3cc4ccccc4cc32)OC1=S.CCN1C(=O)/C(=C2/CCCc3cc4ccccc4cc32)SC1=S.CCN1C(=O)O/C(=C/c2ccc3oc4ccccc4c3c2)C1=O.COc1ccc(/C=C2/OC(=S)N(C(C)=O)C2=O)cc1.COc1ccc(/C=C2/OC(=S)N(CCc3ccncc3)C2=O)cc1.

What is the InChIKey of (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one?

The InChIKey is UXBLHUALUCQBDA-XEVFOXBYSA-N. The full InChI is InChI=1S/C20H17NO4S.C20H17NO2S.C19H17NOS2.C18H16N2O3S.C18H13NO4.C13H11NO4S/c1-10-5-4-6-14-15-8-13(7-11(2)17(15)24-16(10)14)12(3)18-19(23)21(9-22)20(26)25-18;1-2-10-21-19(22)18(23-20(21)24)16-9-5-8-15-11-13-6-3-4-7-14(13)12-17(15)16;1-2-20-18(21)17(23-19(20)22)15-9-5-8-14-10-12-6-3-4-7-13(12)11-16(14)15;1-22-15-4-2-14(3-5-15)12-16-17(21)20(18(24)23-16)11-8-13-6-9-19-10-7-13;1-2-19-17(20)16(23-18(19)21)10-11-7-8-15-13(9-11)12-5-3-4-6-14(12)22-15;1-8(15)14-12(16)11(18-13(14)19)7-9-3-5-10(17-2)6-4-9/h4-8,22H,9H2,1-3H3;2-4,6-7,11-12H,1,5,8-10H2;3-4,6-7,10-11H,2,5,8-9H2,1H3;2-7,9-10,12H,8,11H2,1H3;3-10H,2H2,1H3;3-7H,1-2H3/b18-12+;18-16+;17-15+;16-12+;16-10+;11-7+.

What are the key properties of (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one?

(5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one has a molecular weight of 1967.35 g/mol, XLogP of 21.48, 14 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-3-acetyl-5-[(4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-(dibenzofuran-2-ylmethylidene)-3-ethyl-1,3-oxazolidine-2,4-dione;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one;(5E)-5-(3,4-dihydro-2H-anthracen-1-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[1-(4,6-dimethyldibenzofuran-2-yl)ethylidene]-3-(hydroxymethyl)-2-sulfanylidene-1,3-oxazolidin-4-one;(5E)-5-[(4-methoxyphenyl)methylidene]-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-1,3-oxazolidin-4-one is sourced from PubChem (CID 161217541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).