3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide

C21H19Cl2N3O4S — CID 112824136

IUPAC3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C21H19Cl2N3O4S/c22-14-5-6-17(18(23)11-14)19-13-24-21(30-19)8-7-20(27)25-15-3-1-4-16(12-15)26-9-2-10-31(26,28)29/h1,3-6,11-13H,2,7-10H2,(H,25,27)
InChIKeyQTQUKNYMOZSRTM-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.76
Rot. Bonds6

About 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide

3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide (PubChem CID 112824136) has the molecular formula C21H19Cl2N3O4S and a molecular weight of 480.37 g/mol. Its IUPAC name is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
PubChem CID112824136
Molecular FormulaC21H19Cl2N3O4S
Molecular Weight480.37 g/mol
Exact Mass479.05
IUPAC Name3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide
SMILESO=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C21H19Cl2N3O4S/c22-14-5-6-17(18(23)11-14)19-13-24-21(30-19)8-7-20(27)25-15-3-1-4-16(12-15)26-9-2-10-31(26,28)29/h1,3-6,11-13H,2,7-10H2,(H,25,27)
InChIKeyQTQUKNYMOZSRTM-UHFFFAOYSA-N
XLogP4.76
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]propanamide
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4-amino-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 22690097
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)phenyl]propanamide
CID 112833342
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]butanamide
CID 7638744
N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(3-fluorophenyl)propanamide
CID 110621350
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(2,3,4-trifluorophenyl)propanamide
CID 16591104
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CID 38326510
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 16593632
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-methoxypropanamide
CID 33103637
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-oxoazepan-1-yl)ethyl]propanamide
CID 39514221
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-1-(4-methyl-1,4-diazepan-1-yl)propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
The IUPAC name of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide (CID 112824136) is 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide is O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
The InChIKey is QTQUKNYMOZSRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O4S/c22-14-5-6-17(18(23)11-14)19-13-24-21(30-19)8-7-20(27)25-15-3-1-4-16(12-15)26-9-2-10-31(26,28)29/h1,3-6,11-13H,2,7-10H2,(H,25,27).
What are the key properties of 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide?
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide has a molecular weight of 480.37 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]propanamide is sourced from PubChem (CID 112824136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).