2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide

C26H19N3O4 — CID 42946350

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
SMILESO=C(Nc1cc(-c2ccccc2)no1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H19N3O4/c30-24(27-23-16-21(28-33-23)18-11-5-2-6-12-18)22(15-17-9-3-1-4-10-17)29-25(31)19-13-7-8-14-20(19)26(29)32/h1-14,16,22H,15H2,(H,27,30)
InChIKeyRWZWBFZQRRMNFW-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.19
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide

2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide (PubChem CID 42946350) has the molecular formula C26H19N3O4 and a molecular weight of 437.46 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
PubChem CID42946350
Molecular FormulaC26H19N3O4
Molecular Weight437.46 g/mol
Exact Mass437.14
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide
SMILESO=C(Nc1cc(-c2ccccc2)no1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C26H19N3O4/c30-24(27-23-16-21(28-33-23)18-11-5-2-6-12-18)22(15-17-9-3-1-4-10-17)29-25(31)19-13-7-8-14-20(19)26(29)32/h1-14,16,22H,15H2,(H,27,30)
InChIKeyRWZWBFZQRRMNFW-UHFFFAOYSA-N
XLogP4.19
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.19
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-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide
CID 2738646
US11014912, Example 6
CID 153311693
1-Pyrrolidinepropanamide, N-(3-phenyl-5-isoxazolyl)-
CID 3070614
5-Isoxazolamine, N-(2-methyl-3-(1-pyrrolidinyl)propyl)-3-phenyl-
CID 55530
N-(3-Phenyl-1,2-oxazol-5-yl)benzamide
CID 216920
2-[(3-Phenyl-1,2-oxazol-5-yl)methyl]isoindole-1,3-dione
CID 1479587
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 2788472
US10138230, Example F175
CID 122445969
5-Isoxazolamine, N-(1-methyl-3-(1-pyrrolidinyl)propyl)-3-phenyl-
CID 55531
N-(3-Phenyl-1,2-oxazol-5-yl)-2-(pyrrolidin-1-yl)ethanimidic acid--hydrogen chloride (1/1)
CID 216897
1-Piperidineacetamide, N-(3-phenyl-5-isoxazolyl)-, monohydrochloride
CID 216916
1-Pyrrolidinepropanamide, alpha-methyl-N-(3-phenyl-5-isoxazolyl)-
CID 3070617

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide (CID 42946350) is 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide is O=C(Nc1cc(-c2ccccc2)no1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is RWZWBFZQRRMNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O4/c30-24(27-23-16-21(28-33-23)18-11-5-2-6-12-18)22(15-17-9-3-1-4-10-17)29-25(31)19-13-7-8-14-20(19)26(29)32/h1-14,16,22H,15H2,(H,27,30).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide?
2-(1,3-dioxoisoindol-2-yl)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 437.46 g/mol, XLogP of 4.19, 6 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)-3-phenyl-N-(3-phenyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 42946350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).