5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid

C12H11NO4 — CID 115111153

IUPAC5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CCO)cc2)on1
InChIInChI=1S/C12H11NO4/c14-6-5-8-1-3-9(4-2-8)11-7-10(12(15)16)13-17-11/h1-4,7,14H,5-6H2,(H,15,16)
InChIKeyGDIMEYOFGVYTMJ-UHFFFAOYSA-N
MW233.22 g/mol
LogP1.57
Rot. Bonds4

About 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid

5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 115111153) has the molecular formula C12H11NO4 and a molecular weight of 233.22 g/mol. Its IUPAC name is 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID115111153
Molecular FormulaC12H11NO4
Molecular Weight233.22 g/mol
Exact Mass233.07
IUPAC Name5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(CCO)cc2)on1
InChIInChI=1S/C12H11NO4/c14-6-5-8-1-3-9(4-2-8)11-7-10(12(15)16)13-17-11/h1-4,7,14H,5-6H2,(H,15,16)
InChIKeyGDIMEYOFGVYTMJ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846814
5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846850
5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111196
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111151
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-[4-(carbamoylamino)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117369563
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
N-[2-(4-hydroxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 24738150
4-[5-[4-(2-phenylethyl)phenyl]-1,2-oxazol-3-yl]benzoic acid
CID 58428394
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 131955030
methyl 5-(4-butylphenyl)-1,2-oxazole-3-carboxylate
CID 154791681

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 115111153) is 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(CCO)cc2)on1.
What is the InChIKey of 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is GDIMEYOFGVYTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO4/c14-6-5-8-1-3-9(4-2-8)11-7-10(12(15)16)13-17-11/h1-4,7,14H,5-6H2,(H,15,16).
What are the key properties of 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 233.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 115111153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).