2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide

C20H15N3O4 — CID 1331616

IUPAC2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)no1
InChIInChI=1S/C20H15N3O4/c1-12-9-17(22-27-12)21-18(24)14-7-8-15-16(10-14)20(26)23(19(15)25)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyDHRIBOLCXJGVGV-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.03
Rot. Bonds4

About 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide

2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 1331616) has the molecular formula C20H15N3O4 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID1331616
Molecular FormulaC20H15N3O4
Molecular Weight361.36 g/mol
Exact Mass361.11
IUPAC Name2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide
SMILESCc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)no1
InChIInChI=1S/C20H15N3O4/c1-12-9-17(22-27-12)21-18(24)14-7-8-15-16(10-14)20(26)23(19(15)25)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22,24)
InChIKeyDHRIBOLCXJGVGV-UHFFFAOYSA-N
XLogP3.03
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.03
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
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 840302
2-(1,3-dioxoisoindol-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 884750
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
3-(3,3-dimethyl-2-oxo-1H-indol-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide
CID 44237422
N-(5-methyl-1,2-oxazol-3-yl)-[1,1'-biphenyl]-4-carboxamide
CID 670727
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
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-3-isoxazolylbutanamide
CID 2946890
N-(5-methyl-3-isoxazolyl)-1,3-dioxo-2-propyl-5-isoindolinecarboxamide
CID 2953834
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(5-methylisoxazol-3-yl)propanamide
CID 2966361
4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(5-methyl-3-isoxazolyl)butanamide
CID 2972876

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide (CID 1331616) is 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide is Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)no1.
What is the InChIKey of 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is DHRIBOLCXJGVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O4/c1-12-9-17(22-27-12)21-18(24)14-7-8-15-16(10-14)20(26)23(19(15)25)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22,24).
What are the key properties of 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide?
2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 1331616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).