3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid

C12H11NO4 — CID 68685627

IUPAC3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)CC(c1ccc(O)cc1)c1ncco1
InChIInChI=1S/C12H11NO4/c14-9-3-1-8(2-4-9)10(7-11(15)16)12-13-5-6-17-12/h1-6,10,14H,7H2,(H,15,16)
InChIKeyYUIXEMICWRQLQE-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.99
Rot. Bonds4

About 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid

3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid (PubChem CID 68685627) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid
PubChem CID68685627
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid
SMILESO=C(O)CC(c1ccc(O)cc1)c1ncco1
InChIInChI=1S/C12H11NO4/c14-9-3-1-8(2-4-9)10(7-11(15)16)12-13-5-6-17-12/h1-6,10,14H,7H2,(H,15,16)
InChIKeyYUIXEMICWRQLQE-UHFFFAOYSA-N
XLogP1.99
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid?
The IUPAC name of 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid (CID 68685627) is 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid?
The canonical SMILES for 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid is O=C(O)CC(c1ccc(O)cc1)c1ncco1.
What is the InChIKey of 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid?
The InChIKey is YUIXEMICWRQLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-9-3-1-8(2-4-9)10(7-11(15)16)12-13-5-6-17-12/h1-6,10,14H,7H2,(H,15,16).
What are the key properties of 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid?
3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid has a molecular weight of 233.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-3-(1,3-oxazol-2-yl)propanoic acid is sourced from PubChem (CID 68685627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).