2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione

C17H15N3O5 — CID 175885083

IUPAC2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione
SMILESO=C=C1OC(CN2C(=O)c3ccccc3C2=O)=CN1N1CCOCC1
InChIInChI=1S/C17H15N3O5/c21-11-15-20(18-5-7-24-8-6-18)10-12(25-15)9-19-16(22)13-3-1-2-4-14(13)17(19)23/h1-4,10H,5-9H2
InChIKeyYWWLKNMUJCRTOG-UHFFFAOYSA-N
MW341.32 g/mol
LogP0.38
Rot. Bonds3

About 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione

2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione (PubChem CID 175885083) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione
PubChem CID175885083
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione
SMILESO=C=C1OC(CN2C(=O)c3ccccc3C2=O)=CN1N1CCOCC1
InChIInChI=1S/C17H15N3O5/c21-11-15-20(18-5-7-24-8-6-18)10-12(25-15)9-19-16(22)13-3-1-2-4-14(13)17(19)23/h1-4,10H,5-9H2
InChIKeyYWWLKNMUJCRTOG-UHFFFAOYSA-N
XLogP0.38
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione 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-morpholin-4-ylisoindole-1,3-dione
CID 57312191
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
2-(3-morpholin-4-yl-3-oxopropyl)isoindole-1,3-dione
CID 594743
2-(12-morpholin-4-yldodecyl)isoindole-1,3-dione
CID 56974133
2-(6-morpholin-4-yl-6-oxohexyl)isoindole-1,3-dione
CID 3620620
2-(morpholin-4-ium-4-ylmethyl)isoindole-1,3-dione
CID 3462694
2-[[(2R,3R,14S,15R)-3,14,15-tris[(1,3-dioxoisoindol-2-yl)methyl]-1,4,7,10,13,16,19,22-octaoxacyclotetracos-2-yl]methyl]isoindole-1,3-dione
CID 99693408
2-[2-(4-morpholin-4-ylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 54215076
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[4-(morpholin-4-ylmethyl)phenyl]benzenesulfonamide
CID 108781141
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108874898
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546

Frequently Asked Questions

What is the IUPAC name of 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione (CID 175885083) is 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione is O=C=C1OC(CN2C(=O)c3ccccc3C2=O)=CN1N1CCOCC1.
What is the InChIKey of 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione?
The InChIKey is YWWLKNMUJCRTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c21-11-15-20(18-5-7-24-8-6-18)10-12(25-15)9-19-16(22)13-3-1-2-4-14(13)17(19)23/h1-4,10H,5-9H2.
What are the key properties of 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione?
2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione has a molecular weight of 341.32 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-morpholin-4-yl-2-(oxomethylidene)-1,3-oxazol-5-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 175885083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).