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

C23H20N2O3S — CID 72731611

IUPAC5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CC=Cc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C23H20N2O3S/c1-15-19(24-22(28-15)18-7-3-2-4-8-18)9-5-6-16-10-12-17(13-11-16)14-20-21(26)25-23(27)29-20/h2-8,10-13,20H,9,14H2,1H3,(H,25,26,27)
InChIKeyHRZPJKZBVSIPLB-UHFFFAOYSA-N
MW404.49 g/mol
LogP4.80
Rot. Bonds6

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

5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 72731611) has the molecular formula C23H20N2O3S and a molecular weight of 404.49 g/mol. Its IUPAC name is 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID72731611
Molecular FormulaC23H20N2O3S
Molecular Weight404.49 g/mol
Exact Mass404.12
IUPAC Name5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESCc1oc(-c2ccccc2)nc1CC=Cc1ccc(CC2SC(=O)NC2=O)cc1
InChIInChI=1S/C23H20N2O3S/c1-15-19(24-22(28-15)18-7-3-2-4-8-18)9-5-6-16-10-12-17(13-11-16)14-20-21(26)25-23(27)29-20/h2-8,10-13,20H,9,14H2,1H3,(H,25,26,27)
InChIKeyHRZPJKZBVSIPLB-UHFFFAOYSA-N
XLogP4.80
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-N-methyl-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 15751813
5-[[4-[(E)-N-hydroxy-C-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]carbonimidoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14456685
5-[[4-[(E)-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15751803
N-[2-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]ethyl]-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 22418100
carbamoylsulfamoylurea;5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 174880221
5-[[2-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-1-benzofuran-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 88623049
5-[[4-[2-(5-methyl-2-naphthalen-2-yl-1,3-oxazol-4-yl)ethylsulfonyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15751810
5-[[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzothiophen-2-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 139728340
5-[[8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinolin-5-yl]methyl]-1,3-thiazolidine-2,4-dione
CID 15230440
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
(E)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]phenyl]prop-2-enal
CID 19965609
5-[[6-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]methyl]-1,3-thiazolidine-2,4-dione
CID 15288932

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 72731611) is 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is Cc1oc(-c2ccccc2)nc1CC=Cc1ccc(CC2SC(=O)NC2=O)cc1.
What is the InChIKey of 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HRZPJKZBVSIPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3S/c1-15-19(24-22(28-15)18-7-3-2-4-8-18)9-5-6-16-10-12-17(13-11-16)14-20-21(26)25-23(27)29-20/h2-8,10-13,20H,9,14H2,1H3,(H,25,26,27).
What are the key properties of 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 404.49 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)prop-1-enyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 72731611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).