2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide

C22H23N3O4 — CID 10763146

IUPAC2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(N)=O)C(N)=O)cc1
InChIInChI=1S/C22H23N3O4/c1-14-19(25-22(29-14)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18(20(23)26)21(24)27/h2-10,18H,11-13H2,1H3,(H2,23,26)(H2,24,27)
InChIKeyIAYSZFMDKTUMLT-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.40
Rot. Bonds9

About 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide

2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide (PubChem CID 10763146) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide.

Molecular Properties

Compound Name2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide
PubChem CID10763146
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(N)=O)C(N)=O)cc1
InChIInChI=1S/C22H23N3O4/c1-14-19(25-22(29-14)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18(20(23)26)21(24)27/h2-10,18H,11-13H2,1H3,(H2,23,26)(H2,24,27)
InChIKeyIAYSZFMDKTUMLT-UHFFFAOYSA-N
XLogP2.40
TPSA121.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide?
The IUPAC name of 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide (CID 10763146) is 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide.
What is the SMILES notation for 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide?
The canonical SMILES for 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide?
The InChIKey is IAYSZFMDKTUMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-19(25-22(29-14)16-5-3-2-4-6-16)11-12-28-17-9-7-15(8-10-17)13-18(20(23)26)21(24)27/h2-10,18H,11-13H2,1H3,(H2,23,26)(H2,24,27).
What are the key properties of 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide?
2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide has a molecular weight of 393.44 g/mol, XLogP of 2.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]propanediamide is sourced from PubChem (CID 10763146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).