3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione

C22H20N2O4S — CID 23076474

IUPAC3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CCOC1SC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H20N2O4S/c1-15-18(23-19(28-15)17-10-6-3-7-11-17)12-13-27-21-20(25)24(22(26)29-21)14-16-8-4-2-5-9-16/h2-11,21H,12-14H2,1H3
InChIKeySOSVJTCTRXEDSV-UHFFFAOYSA-N
MW408.48 g/mol
LogP4.43
Rot. Bonds7

About 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione

3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione (PubChem CID 23076474) has the molecular formula C22H20N2O4S and a molecular weight of 408.48 g/mol. Its IUPAC name is 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione
PubChem CID23076474
Molecular FormulaC22H20N2O4S
Molecular Weight408.48 g/mol
Exact Mass408.11
IUPAC Name3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CCOC1SC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C22H20N2O4S/c1-15-18(23-19(28-15)17-10-6-3-7-11-17)12-13-27-21-20(25)24(22(26)29-21)14-16-8-4-2-5-9-16/h2-11,21H,12-14H2,1H3
InChIKeySOSVJTCTRXEDSV-UHFFFAOYSA-N
XLogP4.43
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-benzyl-2-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2-oxazolidine-3,5-dione
CID 67655973
3-[[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22414053
N-benzyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]hydroxylamine
CID 23176293
(4R)-3-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1,3-thiazolidine-4-carboxylic acid
CID 69172957
4-[2-[4-(chloromethyl)phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 11809594
ethyl 4-[5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]butanoate
CID 11706472
4-[2-[3-[[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]methyl]phenoxy]ethyl]-5-methyl-2-phenyl-1,3-oxazole
CID 58977733
3-benzyl-5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-4,5-dihydrotriazole-4-carboxylic acid
CID 90730652
1-benzyl-4-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2,5-dihydropyrrole-3-carboxylic acid
CID 58977706
(1R,3aR,6aS)-5-benzyl-3a-methyl-1-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-1,4,6,6a-tetrahydrofuro[3,4-c]pyrrol-3-one
CID 58977294
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
N-(2-methoxyethyl)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanamide
CID 110647568

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione (CID 23076474) is 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione is Cc1oc(-c2ccccc2)nc1CCOC1SC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione?
The InChIKey is SOSVJTCTRXEDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4S/c1-15-18(23-19(28-15)17-10-6-3-7-11-17)12-13-27-21-20(25)24(22(26)29-21)14-16-8-4-2-5-9-16/h2-11,21H,12-14H2,1H3.
What are the key properties of 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione?
3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione has a molecular weight of 408.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 23076474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).