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

C20H19NO4 — CID 25132561

IUPAC(2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid
SMILESCCO[C@@H](Cc1cccc(-c2cc(-c3ccccc3)on2)c1)C(=O)O
InChIInChI=1S/C20H19NO4/c1-2-24-19(20(22)23)12-14-7-6-10-16(11-14)17-13-18(25-21-17)15-8-4-3-5-9-15/h3-11,13,19H,2,12H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyOITZSTNPUSTLET-IBGZPJMESA-N
MW337.38 g/mol
LogP4.04
Rot. Bonds7

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

(2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid (PubChem CID 25132561) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid
PubChem CID25132561
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name(2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid
SMILESCCO[C@@H](Cc1cccc(-c2cc(-c3ccccc3)on2)c1)C(=O)O
InChIInChI=1S/C20H19NO4/c1-2-24-19(20(22)23)12-14-7-6-10-16(11-14)17-13-18(25-21-17)15-8-4-3-5-9-15/h3-11,13,19H,2,12H2,1H3,(H,22,23)/t19-/m0/s1
InChIKeyOITZSTNPUSTLET-IBGZPJMESA-N
XLogP4.04
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]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 (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid (CID 25132561) is (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid is CCO[C@@H](Cc1cccc(-c2cc(-c3ccccc3)on2)c1)C(=O)O.
What is the InChIKey of (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid?
The InChIKey is OITZSTNPUSTLET-IBGZPJMESA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-24-19(20(22)23)12-14-7-6-10-16(11-14)17-13-18(25-21-17)15-8-4-3-5-9-15/h3-11,13,19H,2,12H2,1H3,(H,22,23)/t19-/m0/s1.
What are the key properties of (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid?
(2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid has a molecular weight of 337.38 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-3-[3-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 25132561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).