3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide

C21H17N3O4 — CID 110402251

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide
SMILESCc1ccc(-c2cnoc2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H17N3O4/c1-13-6-8-14(9-7-13)17-12-22-28-19(17)23-18(25)10-11-24-20(26)15-4-2-3-5-16(15)21(24)27/h2-9,12H,10-11H2,1H3,(H,23,25)
InChIKeyUFUJBVDIMRIFCO-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.27
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide (PubChem CID 110402251) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide
PubChem CID110402251
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide
SMILESCc1ccc(-c2cnoc2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C21H17N3O4/c1-13-6-8-14(9-7-13)17-12-22-28-19(17)23-18(25)10-11-24-20(26)15-4-2-3-5-16(15)21(24)27/h2-9,12H,10-11H2,1H3,(H,23,25)
InChIKeyUFUJBVDIMRIFCO-UHFFFAOYSA-N
XLogP3.27
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]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

3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402400
3-(1,3-dioxoisoindol-2-yl)-N-(4-methyl-1,2,5-oxadiazol-3-yl)propanamide
CID 171980853
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-4-methylbenzohydrazide
CID 2672371
3-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-pyridinyl)propanamide
CID 4175653
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110642564
2-(dimethylamino)-N-(4-phenyl-1,2-oxazol-5-yl)acetamide
CID 118895396
3-methyl-N-(4-phenyl-1,2-oxazol-5-yl)butanamide
CID 110402038
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
CID 4625308
3-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-6-methylphenyl)propanamide
CID 723292

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide (CID 110402251) is 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide is Cc1ccc(-c2cnoc2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide?
The InChIKey is UFUJBVDIMRIFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-13-6-8-14(9-7-13)17-12-22-28-19(17)23-18(25)10-11-24-20(26)15-4-2-3-5-16(15)21(24)27/h2-9,12H,10-11H2,1H3,(H,23,25).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide has a molecular weight of 375.38 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide is sourced from PubChem (CID 110402251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).