5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid

C13H13NO5 — CID 107711662

IUPAC5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccccc2CCO)on1
InChIInChI=1S/C13H13NO5/c15-6-5-9-3-1-2-4-12(9)18-8-10-7-11(13(16)17)14-19-10/h1-4,7,15H,5-6,8H2,(H,16,17)
InChIKeyFBIJYLPNJVLKLW-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.49
Rot. Bonds6

About 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid

5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 107711662) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID107711662
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COc2ccccc2CCO)on1
InChIInChI=1S/C13H13NO5/c15-6-5-9-3-1-2-4-12(9)18-8-10-7-11(13(16)17)14-19-10/h1-4,7,15H,5-6,8H2,(H,16,17)
InChIKeyFBIJYLPNJVLKLW-UHFFFAOYSA-N
XLogP1.49
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanol
CID 107713142
5-[[2-(2-methoxyphenyl)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106261771
5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 46738434
5-[(2,4,5-trichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397549
5-[(2-chlorophenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 61397623
3-fluoro-4-[[2-(2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 107714150
5-[(3-hydroxyphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 117216896
5-[(3-methyl-2-nitrophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397582
2-[2-(1,3-thiazol-5-ylmethoxy)phenyl]ethanol
CID 107713207
5-[(4-propylphenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 62548376
5-[(3,5-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397630
2-[2-[(4-amino-1,3-benzoxazol-2-yl)methoxy]phenyl]ethanol
CID 107712120

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid (CID 107711662) is 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COc2ccccc2CCO)on1.
What is the InChIKey of 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is FBIJYLPNJVLKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c15-6-5-9-3-1-2-4-12(9)18-8-10-7-11(13(16)17)14-19-10/h1-4,7,15H,5-6,8H2,(H,16,17).
What are the key properties of 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 263.25 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxyethyl)phenoxy]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 107711662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).