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

C21H21NO5 — CID 10992201

IUPAC2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C21H21NO5/c1-14-19(22-20(27-14)16-6-4-3-5-7-16)12-13-25-17-8-10-18(11-9-17)26-15(2)21(23)24/h3-11,15H,12-13H2,1-2H3,(H,23,24)
InChIKeyZBKLXHAHCJHQOK-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.12
Rot. Bonds8

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

2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid (PubChem CID 10992201) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
PubChem CID10992201
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Name2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)C(=O)O)cc1
InChIInChI=1S/C21H21NO5/c1-14-19(22-20(27-14)16-6-4-3-5-7-16)12-13-25-17-8-10-18(11-9-17)26-15(2)21(23)24/h3-11,15H,12-13H2,1-2H3,(H,23,24)
InChIKeyZBKLXHAHCJHQOK-UHFFFAOYSA-N
XLogP4.12
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid 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]phenoxy]propanoic acid?
The IUPAC name of 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid (CID 10992201) is 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?
The canonical SMILES for 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?
The InChIKey is ZBKLXHAHCJHQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-14-19(22-20(27-14)16-6-4-3-5-7-16)12-13-25-17-8-10-18(11-9-17)26-15(2)21(23)24/h3-11,15H,12-13H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?
2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid has a molecular weight of 367.40 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 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]phenoxy]propanoic acid is sourced from PubChem (CID 10992201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).