3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide

C25H19N3O4 — CID 4625308

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESCc1ccc2oc(-c3ccccc3NC(=O)CCN3C(=O)c4ccccc4C3=O)nc2c1
InChIInChI=1S/C25H19N3O4/c1-15-10-11-21-20(14-15)27-23(32-21)18-8-4-5-9-19(18)26-22(29)12-13-28-24(30)16-6-2-3-7-17(16)25(28)31/h2-11,14H,12-13H2,1H3,(H,26,29)
InChIKeyGKSZDKJIZCZVHD-UHFFFAOYSA-N
MW425.44 g/mol
LogP4.43
Rot. Bonds5

About 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide

3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide (PubChem CID 4625308) has the molecular formula C25H19N3O4 and a molecular weight of 425.44 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
PubChem CID4625308
Molecular FormulaC25H19N3O4
Molecular Weight425.44 g/mol
Exact Mass425.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide
SMILESCc1ccc2oc(-c3ccccc3NC(=O)CCN3C(=O)c4ccccc4C3=O)nc2c1
InChIInChI=1S/C25H19N3O4/c1-15-10-11-21-20(14-15)27-23(32-21)18-8-4-5-9-19(18)26-22(29)12-13-28-24(30)16-6-2-3-7-17(16)25(28)31/h2-11,14H,12-13H2,1H3,(H,26,29)
InChIKeyGKSZDKJIZCZVHD-UHFFFAOYSA-N
XLogP4.43
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 54.43
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

N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 4089024
4-[2-(5-methyl-1,3-benzoxazol-2-yl)anilino]-4-oxobutanoic acid
CID 3530071
4-(2,4-dichlorophenoxy)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]butanamide
CID 3539997
2-cyano-N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]acetamide
CID 168522807
N-[2-methyl-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 712724
N-[2-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-phenylpropanamide
CID 4649343
N-(2-ethylsulfonylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55613446
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 3354455
N-[2-methyl-4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-2-phenylacetamide
CID 1359894
3-(1,3-dioxoisoindol-2-yl)-N-[4-(4-methylphenyl)-1,2-oxazol-5-yl]propanamide
CID 110402251
tetrakis(2-(5-methyl-1,3-benzoxazol-2-yl)phenol);zirconium
CID 173044170
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 110642564

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide (CID 4625308) is 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide is Cc1ccc2oc(-c3ccccc3NC(=O)CCN3C(=O)c4ccccc4C3=O)nc2c1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
The InChIKey is GKSZDKJIZCZVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O4/c1-15-10-11-21-20(14-15)27-23(32-21)18-8-4-5-9-19(18)26-22(29)12-13-28-24(30)16-6-2-3-7-17(16)25(28)31/h2-11,14H,12-13H2,1H3,(H,26,29).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide has a molecular weight of 425.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-1,3-benzoxazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 4625308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).