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

C21H17N3O4 — CID 110417065

IUPACN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)c(C)o1
InChIInChI=1S/C21H17N3O4/c1-12-19(22-13(2)28-12)14-7-9-15(10-8-14)23-18(25)11-24-20(26)16-5-3-4-6-17(16)21(24)27/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyYVEFEHOABQYAIS-UHFFFAOYSA-N
MW375.38 g/mol
LogP3.19
Rot. Bonds4

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

N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 110417065) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID110417065
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC NameN-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCc1nc(-c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)c(C)o1
InChIInChI=1S/C21H17N3O4/c1-12-19(22-13(2)28-12)14-7-9-15(10-8-14)23-18(25)11-24-20(26)16-5-3-4-6-17(16)21(24)27/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyYVEFEHOABQYAIS-UHFFFAOYSA-N
XLogP3.19
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.19
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 N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 110417065) is N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is Cc1nc(-c2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2)c(C)o1.
What is the InChIKey of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is YVEFEHOABQYAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-12-19(22-13(2)28-12)14-7-9-15(10-8-14)23-18(25)11-24-20(26)16-5-3-4-6-17(16)21(24)27/h3-10H,11H2,1-2H3,(H,23,25).
What are the key properties of N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 375.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethyl-1,3-oxazol-4-yl)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 110417065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).