4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide

C19H15N3O4 — CID 2946890

IUPAC4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide
SMILESO=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccon1
InChIInChI=1S/C19H15N3O4/c23-16(20-15-9-11-26-21-15)8-3-10-22-18(24)13-6-1-4-12-5-2-7-14(17(12)13)19(22)25/h1-2,4-7,9,11H,3,8,10H2,(H,20,21,23)
InChIKeyFMDZUYBHJHLWRS-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.84
Rot. Bonds5

About 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide

4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide (PubChem CID 2946890) has the molecular formula C19H15N3O4 and a molecular weight of 349.35 g/mol. Its IUPAC name is 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide
PubChem CID2946890
Molecular FormulaC19H15N3O4
Molecular Weight349.35 g/mol
Exact Mass349.11
IUPAC Name4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide
SMILESO=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccon1
InChIInChI=1S/C19H15N3O4/c23-16(20-15-9-11-26-21-15)8-3-10-22-18(24)13-6-1-4-12-5-2-7-14(17(12)13)19(22)25/h1-2,4-7,9,11H,3,8,10H2,(H,20,21,23)
InChIKeyFMDZUYBHJHLWRS-UHFFFAOYSA-N
XLogP2.84
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1331616
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(5-methyl-3-isoxazolyl)butanamide
CID 2972876
3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 2945949
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-(5-methyl-1,2-oxazol-3-yl)isoindole-1,3-dione
CID 15991825
3-(4-fluorophenyl)-2-(2-methoxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 4076694
N-[(S)-cyclopropyl-(3-fluorophenyl)methyl]-8-fluoro-3-methyl-2-(1,2-oxazol-3-yl)-1-oxoisoquinoline-4-carboxamide
CID 58286931
3-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-N-(1,2-oxazol-3-yl)-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 87988333
3-[3,5-bis(trifluoromethyl)phenyl]-N-(1,2-oxazol-3-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-4-carboxamide
CID 87988589
4-fluoro-N-(1,2-oxazol-3-yl)naphthalene-1-carboxamide
CID 105601013
2-(4,4-difluoro-1,3-dioxoisoquinolin-2-yl)-N-(1,2-oxazol-3-yl)acetamide
CID 146132598
N1-(isoxazol-3-yl)-N2-(2-morpholino-2-(naphthalen-1-yl)ethyl)oxalamide
CID 16813229
N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
CID 1201665

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide?
The IUPAC name of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide (CID 2946890) is 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide.
What is the SMILES notation for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide?
The canonical SMILES for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide is O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Nc1ccon1.
What is the InChIKey of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide?
The InChIKey is FMDZUYBHJHLWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4/c23-16(20-15-9-11-26-21-15)8-3-10-22-18(24)13-6-1-4-12-5-2-7-14(17(12)13)19(22)25/h1-2,4-7,9,11H,3,8,10H2,(H,20,21,23).
What are the key properties of 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide?
4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide has a molecular weight of 349.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-(1,2-oxazol-3-yl)butanamide is sourced from PubChem (CID 2946890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).