3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide

C22H20N4O4 — CID 50755093

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1noc(CCc2ccccc2)n1
InChIInChI=1S/C22H20N4O4/c27-19(12-13-26-21(28)16-8-4-5-9-17(16)22(26)29)23-14-18-24-20(30-25-18)11-10-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,27)
InChIKeyRVWOPPHVMGSJPQ-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.16
Rot. Bonds8

About 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (PubChem CID 50755093) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
PubChem CID50755093
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCc1noc(CCc2ccccc2)n1
InChIInChI=1S/C22H20N4O4/c27-19(12-13-26-21(28)16-8-4-5-9-17(16)22(26)29)23-14-18-24-20(30-25-18)11-10-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,27)
InChIKeyRVWOPPHVMGSJPQ-UHFFFAOYSA-N
XLogP2.16
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-thiophen-2-ylacetamide
CID 50754812
3-[[3-(1,3-dioxoisoindol-2-yl)propanoylamino]methyl]benzoic acid
CID 108767672
3-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(2-phenylethyl)propanamide
CID 113202430
3-(1,3-dioxoisoindol-2-yl)-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]propanamide
CID 108762342
3-(1,3-dioxoisoindol-2-yl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714611
2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120834184
3-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 110660366
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 55891990
N-benzyl-3-(5-bromo-1,3-dioxoisoindol-2-yl)propanamide
CID 30426434
3-(1,3-dioxoisoindol-2-yl)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 51571611
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 2712696
3-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346171

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide (CID 50755093) is 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCc1noc(CCc2ccccc2)n1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
The InChIKey is RVWOPPHVMGSJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c27-19(12-13-26-21(28)16-8-4-5-9-17(16)22(26)29)23-14-18-24-20(30-25-18)11-10-15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,27).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide has a molecular weight of 404.43 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[[5-(2-phenylethyl)-1,2,4-oxadiazol-3-yl]methyl]propanamide is sourced from PubChem (CID 50755093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).