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

C22H23NO5 — CID 11058026

IUPAC2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
InChIKeyDBLOTXLMFNXDEW-UHFFFAOYSA-N
MW381.43 g/mol
LogP4.51
Rot. Bonds8

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

2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid (PubChem CID 11058026) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
PubChem CID11058026
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1
InChIInChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)
InChIKeyDBLOTXLMFNXDEW-UHFFFAOYSA-N
XLogP4.51
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-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-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid (CID 11058026) is 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(OC(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?
The InChIKey is DBLOTXLMFNXDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25).
What are the key properties of 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid?
2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid has a molecular weight of 381.43 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoic acid is sourced from PubChem (CID 11058026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).