ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate

C20H24N2O4S — CID 12777426

IUPACethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate
SMILESCCOC(=O)CCCCCN1C(=O)CSC1c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H24N2O4S/c1-2-25-19(24)11-7-4-8-12-22-18(23)14-27-20(22)16-13-17(26-21-16)15-9-5-3-6-10-15/h3,5-6,9-10,13,20H,2,4,7-8,11-12,14H2,1H3
InChIKeyOOAPETCEACSHCP-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.04
Rot. Bonds9

About ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate

ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate (PubChem CID 12777426) has the molecular formula C20H24N2O4S and a molecular weight of 388.49 g/mol. Its IUPAC name is ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate.

Molecular Properties

Compound Nameethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate
PubChem CID12777426
Molecular FormulaC20H24N2O4S
Molecular Weight388.49 g/mol
Exact Mass388.15
IUPAC Nameethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate
SMILESCCOC(=O)CCCCCN1C(=O)CSC1c1cc(-c2ccccc2)on1
InChIInChI=1S/C20H24N2O4S/c1-2-25-19(24)11-7-4-8-12-22-18(23)14-27-20(22)16-13-17(26-21-16)15-9-5-3-6-10-15/h3,5-6,9-10,13,20H,2,4,7-8,11-12,14H2,1H3
InChIKeyOOAPETCEACSHCP-UHFFFAOYSA-N
XLogP4.04
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate
CID 3867156
ethyl 3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3801896
ethyl 7-(2-methyl-6,7-diphenyl-3,4-dihydro-2H-1,8-naphthyridin-1-yl)heptanoate
CID 66665662
ethyl 3-[2-(3,5-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
CID 3290194
ethyl 7-[(2R)-2-[(3R)-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]heptanoate
CID 141126476
3-butyl-2-pyridin-2-yl-1,3-thiazolidin-4-one
CID 4995229
methyl 6-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]hexanoate
CID 3806298
ethyl 2-[2-[3-(2-morpholin-4-ylethyl)-4-oxo-1,3-thiazolidin-2-yl]phenoxy]acetate
CID 23737861
ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate
CID 129009308
ethyl 8-[(3E)-3-benzylidene-2,5-dioxopyrrolidin-1-yl]octanoate
CID 169092059
ethyl 11-[5-butyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]undecanoate
CID 88517636
ethyl 7-[2-oxo-5-[(E)-3-oxo-4-phenylbut-1-enyl]pyrrolidin-1-yl]heptanoate
CID 20801282

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate?
The IUPAC name of ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate (CID 12777426) is ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate.
What is the SMILES notation for ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate?
The canonical SMILES for ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate is CCOC(=O)CCCCCN1C(=O)CSC1c1cc(-c2ccccc2)on1.
What is the InChIKey of ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate?
The InChIKey is OOAPETCEACSHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4S/c1-2-25-19(24)11-7-4-8-12-22-18(23)14-27-20(22)16-13-17(26-21-16)15-9-5-3-6-10-15/h3,5-6,9-10,13,20H,2,4,7-8,11-12,14H2,1H3.
What are the key properties of ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate?
ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate has a molecular weight of 388.49 g/mol, XLogP of 4.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[4-oxo-2-(5-phenyl-1,2-oxazol-3-yl)-1,3-thiazolidin-3-yl]hexanoate is sourced from PubChem (CID 12777426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).