5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C57H60N6O11S — CID 157245471

IUPAC5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1cccc(CCOc2ccc(CC3OC(=O)NC3=O)cc2)n1.CCc1ccnc(CCOc2ccc(CC3OC(=O)NC3=O)cc2)c1
InChIInChI=1S/2C19H20N2O4.C19H20N2O3S/c1-2-13-7-9-20-15(11-13)8-10-24-16-5-3-14(4-6-16)12-17-18(22)21-19(23)25-17;1-2-14-4-3-5-15(20-14)10-11-24-16-8-6-13(7-9-16)12-17-18(22)21-19(23)25-17;1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-7,9,11,17H,2,8,10,12H2,1H3,(H,21,22,23);3-9,17H,2,10-12H2,1H3,(H,21,22,23);3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
InChIKeyAVRZUAKUWIJGPD-UHFFFAOYSA-N
MW1037.20 g/mol
LogP8.05
Rot. Bonds21

About 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 157245471) has the molecular formula C57H60N6O11S and a molecular weight of 1037.20 g/mol. Its IUPAC name is 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID157245471
Molecular FormulaC57H60N6O11S
Molecular Weight1037.20 g/mol
Exact Mass1036.40
IUPAC Name5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1cccc(CCOc2ccc(CC3OC(=O)NC3=O)cc2)n1.CCc1ccnc(CCOc2ccc(CC3OC(=O)NC3=O)cc2)c1
InChIInChI=1S/2C19H20N2O4.C19H20N2O3S/c1-2-13-7-9-20-15(11-13)8-10-24-16-5-3-14(4-6-16)12-17-18(22)21-19(23)25-17;1-2-14-4-3-5-15(20-14)10-11-24-16-8-6-13(7-9-16)12-17-18(22)21-19(23)25-17;1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-7,9,11,17H,2,8,10,12H2,1H3,(H,21,22,23);3-9,17H,2,10-12H2,1H3,(H,21,22,23);3-8,12,17H,2,9-11H2,1H3,(H,21,22,23)
InChIKeyAVRZUAKUWIJGPD-UHFFFAOYSA-N
XLogP8.05
TPSA223.33 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001037.20
LogP ≤ 58.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 157245471) is 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1.CCc1cccc(CCOc2ccc(CC3OC(=O)NC3=O)cc2)n1.CCc1ccnc(CCOc2ccc(CC3OC(=O)NC3=O)cc2)c1.
What is the InChIKey of 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is AVRZUAKUWIJGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20N2O4.C19H20N2O3S/c1-2-13-7-9-20-15(11-13)8-10-24-16-5-3-14(4-6-16)12-17-18(22)21-19(23)25-17;1-2-14-4-3-5-15(20-14)10-11-24-16-8-6-13(7-9-16)12-17-18(22)21-19(23)25-17;1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-7,9,11,17H,2,8,10,12H2,1H3,(H,21,22,23);3-9,17H,2,10-12H2,1H3,(H,21,22,23);3-8,12,17H,2,9-11H2,1H3,(H,21,22,23).
What are the key properties of 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 1037.20 g/mol, XLogP of 8.05, 21 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-(4-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(6-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-oxazolidine-2,4-dione;5-[[4-[2-(5-ethyl-2-pyridinyl)ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 157245471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).