3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

C20H21N3O5S — CID 24983107

IUPAC3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O
InChIInChI=1S/C20H21N3O5S/c1-4-15-17(12(2)28-22-15)18(24)21-9-10-23-19(25)16(29-20(23)26)11-13-5-7-14(27-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,21,24)/b16-11-
InChIKeyZDVRPMQBKJMJEV-WJDWOHSUSA-N
MW415.47 g/mol
LogP3.02
Rot. Bonds7

About 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24983107) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24983107
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC Name3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O
InChIInChI=1S/C20H21N3O5S/c1-4-15-17(12(2)28-22-15)18(24)21-9-10-23-19(25)16(29-20(23)26)11-13-5-7-14(27-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,21,24)/b16-11-
InChIKeyZDVRPMQBKJMJEV-WJDWOHSUSA-N
XLogP3.02
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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CID 1245852
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CID 2089472
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CID 16191823
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CID 24978743
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CID 46096900
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 24983107) is 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCCN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZDVRPMQBKJMJEV-WJDWOHSUSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-4-15-17(12(2)28-22-15)18(24)21-9-10-23-19(25)16(29-20(23)26)11-13-5-7-14(27-3)8-6-13/h5-8,11H,4,9-10H2,1-3H3,(H,21,24)/b16-11-.
What are the key properties of 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 415.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24983107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).