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

C18H15NO3 — CID 3061213

IUPAC2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C18H15NO3/c1-12(18(20)21)13-7-9-14(10-8-13)16-11-17(22-19-16)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,21)
InChIKeyGULYBHMZVBSTKE-UHFFFAOYSA-N
MW293.32 g/mol
LogP4.20
Rot. Bonds4

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

2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid (PubChem CID 3061213) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid
PubChem CID3061213
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(-c2cc(-c3ccccc3)on2)cc1
InChIInChI=1S/C18H15NO3/c1-12(18(20)21)13-7-9-14(10-8-13)16-11-17(22-19-16)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,21)
InChIKeyGULYBHMZVBSTKE-UHFFFAOYSA-N
XLogP4.20
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid (CID 3061213) is 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid is CC(C(=O)O)c1ccc(-c2cc(-c3ccccc3)on2)cc1.
What is the InChIKey of 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid?
The InChIKey is GULYBHMZVBSTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-12(18(20)21)13-7-9-14(10-8-13)16-11-17(22-19-16)15-5-3-2-4-6-15/h2-12H,1H3,(H,20,21).
What are the key properties of 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid?
2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-phenyl-1,2-oxazol-3-yl)phenyl]propanoic acid is sourced from PubChem (CID 3061213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).