3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid

C24H22N2O4S — CID 10224884

IUPAC3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(=O)O)c2cccs2)cn1
InChIInChI=1S/C24H22N2O4S/c1-16-20(26-23(30-16)18-6-3-2-4-7-18)11-12-29-22-10-9-17(15-25-22)14-19(24(27)28)21-8-5-13-31-21/h2-10,13,15,19H,11-12,14H2,1H3,(H,27,28)
InChIKeyZPKXDXUAUWDYLI-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.14
Rot. Bonds9

About 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid

3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid (PubChem CID 10224884) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid.

Molecular Properties

Compound Name3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid
PubChem CID10224884
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC Name3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid
SMILESCc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(=O)O)c2cccs2)cn1
InChIInChI=1S/C24H22N2O4S/c1-16-20(26-23(30-16)18-6-3-2-4-7-18)11-12-29-22-10-9-17(15-25-22)14-19(24(27)28)21-8-5-13-31-21/h2-10,13,15,19H,11-12,14H2,1H3,(H,27,28)
InChIKeyZPKXDXUAUWDYLI-UHFFFAOYSA-N
XLogP5.14
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid?
The IUPAC name of 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid (CID 10224884) is 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid.
What is the SMILES notation for 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid?
The canonical SMILES for 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid is Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C(=O)O)c2cccs2)cn1.
What is the InChIKey of 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid?
The InChIKey is ZPKXDXUAUWDYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-16-20(26-23(30-16)18-6-3-2-4-7-18)11-12-29-22-10-9-17(15-25-22)14-19(24(27)28)21-8-5-13-31-21/h2-10,13,15,19H,11-12,14H2,1H3,(H,27,28).
What are the key properties of 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid?
3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid has a molecular weight of 434.52 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]-2-thiophen-2-ylpropanoic acid is sourced from PubChem (CID 10224884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).