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

C20H21NO4 — CID 25115789

IUPAC(2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid
SMILESCCO[C@H](Cc1cccc(C2=NOC(c3ccccc3)C2)c1)C(=O)O
InChIInChI=1S/C20H21NO4/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/h3-11,18-19H,2,12-13H2,1H3,(H,22,23)/t18?,19-/m1/s1
InChIKeyDDXOKUHUAQEPLL-MUMRKEEXSA-N
MW339.39 g/mol
LogP3.58
Rot. Bonds7

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

(2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid (PubChem CID 25115789) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid
PubChem CID25115789
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid
SMILESCCO[C@H](Cc1cccc(C2=NOC(c3ccccc3)C2)c1)C(=O)O
InChIInChI=1S/C20H21NO4/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/h3-11,18-19H,2,12-13H2,1H3,(H,22,23)/t18?,19-/m1/s1
InChIKeyDDXOKUHUAQEPLL-MUMRKEEXSA-N
XLogP3.58
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid?
The IUPAC name of (2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid (CID 25115789) is (2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid is CCO[C@H](Cc1cccc(C2=NOC(c3ccccc3)C2)c1)C(=O)O.
What is the InChIKey of (2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid?
The InChIKey is DDXOKUHUAQEPLL-MUMRKEEXSA-N. The full InChI is InChI=1S/C20H21NO4/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/h3-11,18-19H,2,12-13H2,1H3,(H,22,23)/t18?,19-/m1/s1.
What are the key properties of (2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid?
(2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid has a molecular weight of 339.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethoxy-3-[3-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 25115789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).