2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C14H11N3O4 — CID 884750

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)no1
InChIInChI=1S/C14H11N3O4/c1-8-6-11(16-21-8)15-12(18)7-17-13(19)9-4-2-3-5-10(9)14(17)20/h2-6H,7H2,1H3,(H,15,16,18)
InChIKeyUOVGULBCCXCVSF-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.22
Rot. Bonds3

About 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 884750) has the molecular formula C14H11N3O4 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID884750
Molecular FormulaC14H11N3O4
Molecular Weight285.26 g/mol
Exact Mass285.07
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)no1
InChIInChI=1S/C14H11N3O4/c1-8-6-11(16-21-8)15-12(18)7-17-13(19)9-4-2-3-5-10(9)14(17)20/h2-6H,7H2,1H3,(H,15,16,18)
InChIKeyUOVGULBCCXCVSF-UHFFFAOYSA-N
XLogP1.22
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.22
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

Soretolide
CID 198730
Benzamide, N-(5-methyl-3-isoxazolyl)-
CID 569560
3-(5-Methyl-1,2-oxazol-3-YL)-1-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-YL]urea
CID 20924386
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
(2S)-1-benzoyl-N-(5-tert-butyl-1,2-oxazol-3-yl)piperidine-2-carboxamide
CID 46872383
1-(5-methyl-1,2-oxazol-3-yl)-3-(6-oxo-2,3,4,10b-tetrahydro-1H-pyrido[2,1-a]isoindol-10-yl)urea
CID 46909514
1,2-Benzisothiazole-2(3H)-acetamide, N-(5-methyl-3-isoxazolyl)-3-oxo-, 1,1-dioxide
CID 2425592
2-(3-methylbutyl)-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 977141
2-cyclohexyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1331098
2-benzyl-N-(5-methyl-3-isoxazolyl)-1,3-dioxo-5-isoindolinecarboxamide
CID 1331616
2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)-N-(5-methyl-3-isoxazolyl)acetamide
CID 1567476
N-(5-methyl-3-isoxazolyl)-1,3-dioxo-2-propyl-5-isoindolinecarboxamide
CID 2953834

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 884750) is 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)no1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is UOVGULBCCXCVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O4/c1-8-6-11(16-21-8)15-12(18)7-17-13(19)9-4-2-3-5-10(9)14(17)20/h2-6H,7H2,1H3,(H,15,16,18).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 285.26 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 884750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).