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

C22H19N3O4 — CID 110642564

IUPACN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)c(C)o1
InChIInChI=1S/C22H19N3O4/c1-13-20(23-14(2)29-13)15-7-9-16(10-8-15)24-19(26)11-12-25-21(27)17-5-3-4-6-18(17)22(25)28/h3-10H,11-12H2,1-2H3,(H,24,26)
InChIKeyIPMNBWJFCIJFJJ-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.58
Rot. Bonds5

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

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 110642564) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID110642564
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1nc(-c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)c(C)o1
InChIInChI=1S/C22H19N3O4/c1-13-20(23-14(2)29-13)15-7-9-16(10-8-15)24-19(26)11-12-25-21(27)17-5-3-4-6-18(17)22(25)28/h3-10H,11-12H2,1-2H3,(H,24,26)
InChIKeyIPMNBWJFCIJFJJ-UHFFFAOYSA-N
XLogP3.58
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110417065
3-(1,3-dioxoisoindol-2-yl)-N-[4-(5-methyl-2-phenyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108769961
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 17171770
N-(4-anilinophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1301535
N-(3-amino-4-methylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 28867506
N-[4-[(2R)-butan-2-yl]phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 1300800
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 108764948
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-thiophen-2-ylacetamide
CID 110642555
N-(4-cyanophenyl)-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 973423
3-(1,3-dioxoisoindol-2-yl)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 8752768
3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 110204352

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 110642564) is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is Cc1nc(-c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is IPMNBWJFCIJFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-13-20(23-14(2)29-13)15-7-9-16(10-8-15)24-19(26)11-12-25-21(27)17-5-3-4-6-18(17)22(25)28/h3-10H,11-12H2,1-2H3,(H,24,26).
What are the key properties of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 389.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 110642564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).