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

C11H8FNO4 — CID 117215650

IUPAC3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(COc2cccc(F)c2)no1
InChIInChI=1S/C11H8FNO4/c12-7-2-1-3-9(4-7)16-6-8-5-10(11(14)15)17-13-8/h1-5H,6H2,(H,14,15)
InChIKeyDKSPVBGIUGWSDG-UHFFFAOYSA-N
MW237.19 g/mol
LogP2.09
Rot. Bonds4

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

3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 117215650) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
PubChem CID117215650
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(COc2cccc(F)c2)no1
InChIInChI=1S/C11H8FNO4/c12-7-2-1-3-9(4-7)16-6-8-5-10(11(14)15)17-13-8/h1-5H,6H2,(H,14,15)
InChIKeyDKSPVBGIUGWSDG-UHFFFAOYSA-N
XLogP2.09
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6463764
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3-[(4-fluorophenyl)methyl]-1,2-oxazole-5-carboxylic acid
CID 96607582
2-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255822
1-[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 62459221
5-[(3-fluorophenoxy)methyl]-3-methyl-1,2-oxazole
CID 60681199
3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole
CID 130899394
5-[(3-fluorophenoxy)methyl]-3-methylfuran-2-carboxylic acid
CID 43620729
N-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 62459392
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
3-[(3-fluorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
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[5-[(3-fluorophenoxy)methyl]furan-2-yl]methanol
CID 82080187

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid (CID 117215650) is 3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(COc2cccc(F)c2)no1.
What is the InChIKey of 3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is DKSPVBGIUGWSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c12-7-2-1-3-9(4-7)16-6-8-5-10(11(14)15)17-13-8/h1-5H,6H2,(H,14,15).
What are the key properties of 3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid?
3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenoxy)methyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117215650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).