2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide

C21H17N3O4 — CID 2738646

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide
SMILESCc1onc(-c2ccccc2)c1CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H17N3O4/c1-13-17(19(23-28-13)14-7-3-2-4-8-14)11-22-18(25)12-24-20(26)15-9-5-6-10-16(15)21(24)27/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyZCHFTWXEMWUGQG-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.56
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide

2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide (PubChem CID 2738646) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide
PubChem CID2738646
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide
SMILESCc1onc(-c2ccccc2)c1CNC(=O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C21H17N3O4/c1-13-17(19(23-28-13)14-7-3-2-4-8-14)11-22-18(25)12-24-20(26)15-9-5-6-10-16(15)21(24)27/h2-10H,11-12H2,1H3,(H,22,25)
InChIKeyZCHFTWXEMWUGQG-UHFFFAOYSA-N
XLogP2.56
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide (CID 2738646) is 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide is Cc1onc(-c2ccccc2)c1CNC(=O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide?
The InChIKey is ZCHFTWXEMWUGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-13-17(19(23-28-13)14-7-3-2-4-8-14)11-22-18(25)12-24-20(26)15-9-5-6-10-16(15)21(24)27/h2-10H,11-12H2,1H3,(H,22,25).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide has a molecular weight of 375.38 g/mol, XLogP of 2.56, 5 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-3-phenyl-1,2-oxazol-4-yl)methyl]acetamide is sourced from PubChem (CID 2738646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).