3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide

C20H14BrN3O4 — CID 55833342

IUPAC3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C20H14BrN3O4/c21-13-4-5-15-16(9-13)20(27)24(19(15)26)7-6-18(25)23-14-3-1-2-12(8-14)17-10-22-11-28-17/h1-5,8-11H,6-7H2,(H,23,25)
InChIKeyXCSMMWJMDBIGPX-UHFFFAOYSA-N
MW440.25 g/mol
LogP3.73
Rot. Bonds5

About 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide

3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide (PubChem CID 55833342) has the molecular formula C20H14BrN3O4 and a molecular weight of 440.25 g/mol. Its IUPAC name is 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
PubChem CID55833342
Molecular FormulaC20H14BrN3O4
Molecular Weight440.25 g/mol
Exact Mass439.02
IUPAC Name3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide
SMILESO=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(-c2cnco2)c1
InChIInChI=1S/C20H14BrN3O4/c21-13-4-5-15-16(9-13)20(27)24(19(15)26)7-6-18(25)23-14-3-1-2-12(8-14)17-10-22-11-28-17/h1-5,8-11H,6-7H2,(H,23,25)
InChIKeyXCSMMWJMDBIGPX-UHFFFAOYSA-N
XLogP3.73
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.25
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]acetamide
CID 63678754
5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 60934205
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 30437588
5-amino-N-[3-(1,3-oxazol-5-yl)phenyl]hexanamide
CID 82851895
N-(3-bromophenyl)-3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propanamide
CID 3373334
N-[3-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 39188263
3-amino-N-[3-(1,3-oxazol-5-yl)phenyl]butanamide
CID 54862859
N-[[3-[4-(5-bromo-1,3-dioxoisoindol-2-yl)butanoylamino]phenyl]methyl]pyridine-3-carboxamide
CID 108926388
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-chloro-2-methylphenyl)propanamide
CID 30428123
cis-(1S,2R)-2-methyl-N-[3-[3-(1,3-oxazol-5-yl)anilino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 94796874
3-methyl-5-[3-(1,3-oxazol-5-yl)anilino]-5-oxopentanoic acid
CID 62965913
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-4-(5-bromo-1,3-dioxoisoindol-2-yl)butanamide
CID 33229147

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide (CID 55833342) is 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide is O=C(CCN1C(=O)c2ccc(Br)cc2C1=O)Nc1cccc(-c2cnco2)c1.
What is the InChIKey of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide?
The InChIKey is XCSMMWJMDBIGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O4/c21-13-4-5-15-16(9-13)20(27)24(19(15)26)7-6-18(25)23-14-3-1-2-12(8-14)17-10-22-11-28-17/h1-5,8-11H,6-7H2,(H,23,25).
What are the key properties of 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide?
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide has a molecular weight of 440.25 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[3-(1,3-oxazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 55833342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).