2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid

C12H12N2O3 — CID 66174342

IUPAC2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid
SMILESCC(Nc1ccc(-c2cnco2)cc1)C(=O)O
InChIInChI=1S/C12H12N2O3/c1-8(12(15)16)14-10-4-2-9(3-5-10)11-6-13-7-17-11/h2-8,14H,1H3,(H,15,16)
InChIKeySKZIYRDOYFEJQX-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.23
Rot. Bonds4

About 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid

2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid (PubChem CID 66174342) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid.

Molecular Properties

Compound Name2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid
PubChem CID66174342
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid
SMILESCC(Nc1ccc(-c2cnco2)cc1)C(=O)O
InChIInChI=1S/C12H12N2O3/c1-8(12(15)16)14-10-4-2-9(3-5-10)11-6-13-7-17-11/h2-8,14H,1H3,(H,15,16)
InChIKeySKZIYRDOYFEJQX-UHFFFAOYSA-N
XLogP2.23
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid?
The IUPAC name of 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid (CID 66174342) is 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid.
What is the SMILES notation for 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid?
The canonical SMILES for 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid is CC(Nc1ccc(-c2cnco2)cc1)C(=O)O.
What is the InChIKey of 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid?
The InChIKey is SKZIYRDOYFEJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(12(15)16)14-10-4-2-9(3-5-10)11-6-13-7-17-11/h2-8,14H,1H3,(H,15,16).
What are the key properties of 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid?
2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid has a molecular weight of 232.24 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-oxazol-5-yl)anilino]propanoic acid is sourced from PubChem (CID 66174342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).