5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid

C11H9NO4 — CID 66928357

IUPAC5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cccc(CO)c1
InChIInChI=1S/C11H9NO4/c13-5-7-2-1-3-8(4-7)10-9(11(14)15)12-6-16-10/h1-4,6,13H,5H2,(H,14,15)
InChIKeyGHBVLAONAWWWRJ-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.53
Rot. Bonds3

About 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid

5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 66928357) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid
PubChem CID66928357
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1cccc(CO)c1
InChIInChI=1S/C11H9NO4/c13-5-7-2-1-3-8(4-7)10-9(11(14)15)12-6-16-10/h1-4,6,13H,5H2,(H,14,15)
InChIKeyGHBVLAONAWWWRJ-UHFFFAOYSA-N
XLogP1.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid (CID 66928357) is 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1-c1cccc(CO)c1.
What is the InChIKey of 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is GHBVLAONAWWWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c13-5-7-2-1-3-8(4-7)10-9(11(14)15)12-6-16-10/h1-4,6,13H,5H2,(H,14,15).
What are the key properties of 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid?
5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(hydroxymethyl)phenyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 66928357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).