3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid

C11H8FNO4 — CID 82291787

IUPAC3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid
SMILESCn1oc(=O)c(C(=O)O)c1-c1ccccc1F
InChIInChI=1S/C11H8FNO4/c1-13-9(6-4-2-3-5-7(6)12)8(10(14)15)11(16)17-13/h2-5H,1H3,(H,14,15)
InChIKeyHJGLNVLNIFOURK-UHFFFAOYSA-N
MW237.19 g/mol
LogP1.48
Rot. Bonds2

About 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid

3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid (PubChem CID 82291787) has the molecular formula C11H8FNO4 and a molecular weight of 237.19 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid
PubChem CID82291787
Molecular FormulaC11H8FNO4
Molecular Weight237.19 g/mol
Exact Mass237.04
IUPAC Name3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid
SMILESCn1oc(=O)c(C(=O)O)c1-c1ccccc1F
InChIInChI=1S/C11H8FNO4/c1-13-9(6-4-2-3-5-7(6)12)8(10(14)15)11(16)17-13/h2-5H,1H3,(H,14,15)
InChIKeyHJGLNVLNIFOURK-UHFFFAOYSA-N
XLogP1.48
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5(2H)-Isoxazolone, 2-methyl-3-phenyl-
CID 12355251
4-Isoxazolecarboxaldehyde, 2,5-dihydro-2-methyl-5-oxo-3-phenyl-
CID 92555
2-Tert-butyl-4-fluoro-3-phenyl-1,2-oxazol-5-one
CID 102584210
2-(4-Fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075298
1-Ethyl-2-(4-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075299
2-(3-Fluorophenyl)-1,6-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075308
1-Ethyl-2-(3-fluorophenyl)-6-methyl-4-oxopyridine-3-carboxylic acid
CID 14075309
6-(4-Fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075326
6-(3-Fluorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
CID 22159964
2-[[[(Z)-1-(4-fluorophenyl)prop-1-enyl]amino]methylidene]propanedioic acid
CID 141251379
2-(4-Fluorophenyl)-1-methyl-4-oxopyridine-3-carboxylic acid
CID 175918269
Ethyl 2-benzyl-3-methyl-5-oxo-1,2-oxazole-4-carboxylate
CID 13843917

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid (CID 82291787) is 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid is Cn1oc(=O)c(C(=O)O)c1-c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid?
The InChIKey is HJGLNVLNIFOURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO4/c1-13-9(6-4-2-3-5-7(6)12)8(10(14)15)11(16)17-13/h2-5H,1H3,(H,14,15).
What are the key properties of 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid?
3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid has a molecular weight of 237.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-methyl-5-oxo-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82291787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).