4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid

C11H9NO5 — CID 117216273

IUPAC4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1oncc1COc1ccc(O)cc1
InChIInChI=1S/C11H9NO5/c13-8-1-3-9(4-2-8)16-6-7-5-12-17-10(7)11(14)15/h1-5,13H,6H2,(H,14,15)
InChIKeyVHAPEDHQYYFBBF-UHFFFAOYSA-N
MW235.20 g/mol
LogP1.66
Rot. Bonds4

About 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid

4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117216273) has the molecular formula C11H9NO5 and a molecular weight of 235.20 g/mol. Its IUPAC name is 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117216273
Molecular FormulaC11H9NO5
Molecular Weight235.20 g/mol
Exact Mass235.05
IUPAC Name4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1oncc1COc1ccc(O)cc1
InChIInChI=1S/C11H9NO5/c13-8-1-3-9(4-2-8)16-6-7-5-12-17-10(7)11(14)15/h1-5,13H,6H2,(H,14,15)
InChIKeyVHAPEDHQYYFBBF-UHFFFAOYSA-N
XLogP1.66
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-bromophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
CID 117216265
4-[(4-hydroxyphenoxy)methyl]-1-methylpyrazole-5-carboxylic acid
CID 117216650
5-[(4-fluorophenoxy)methyl]-1,2-oxazole-4-carboxylic acid
CID 117217458
3-[(4-propoxyphenoxy)methyl]furan-2-carboxylic acid
CID 43153146
4-[(5-aminopyrimidin-2-yl)methoxy]phenol
CID 105470751
4-(1,2-oxazol-4-ylmethoxy)benzoic acid
CID 60870004
4-[6-(4-hydroxyphenoxy)hexoxy]benzoic acid
CID 71331211
3-[[4-(cyanomethyl)phenoxy]methyl]furan-2-carboxylic acid
CID 43244453
4-[[4-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-5-amine
CID 117216218
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
3-[(4-hydroxyphenoxy)methyl]-1-benzothiophene-4-carboxylic acid
CID 117171028
3-[[4-(4-fluorophenyl)phenoxy]methyl]-5-methylfuran-2-carboxylic acid
CID 172705932

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid (CID 117216273) is 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1oncc1COc1ccc(O)cc1.
What is the InChIKey of 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is VHAPEDHQYYFBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c13-8-1-3-9(4-2-8)16-6-7-5-12-17-10(7)11(14)15/h1-5,13H,6H2,(H,14,15).
What are the key properties of 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 235.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenoxy)methyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117216273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).