3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid

C10H8FNO3 — CID 57260376

IUPAC3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2cccc(F)c2)NO1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5,9,12H,(H,13,14)
InChIKeyBLNUSILFVSBMOP-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.15
Rot. Bonds2

About 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 57260376) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID57260376
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2cccc(F)c2)NO1
InChIInChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5,9,12H,(H,13,14)
InChIKeyBLNUSILFVSBMOP-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56974051
3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
[3-(4-Fluorophenyl)-4-methyl-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 56986394
3-(3-Chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57022113
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
3-Methyl-2-[1-[3-(trifluoromethyl)phenyl]ethenylamino]oxybutanoic acid
CID 57147319
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57217620
2-ethyl-3-phenyl-4-(trifluoromethyl)-5H-1,2-oxazole-5-carboxylic acid
CID 66955316
[3-(3-Fluoro-4-iodophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91060512
3-(3-cyano-4-fluorophenyl)-5-methyl-2H-1,2-oxazole-5-carboxylic acid
CID 91203426
[3-(3,4-Difluorophenyl)-2,5-dihydro-1,2-oxazol-5-yl]methanol
CID 91204558
Methyl 3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 91470250

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 57260376) is 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1C=C(c2cccc(F)c2)NO1.
What is the InChIKey of 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is BLNUSILFVSBMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-7-3-1-2-6(4-7)8-5-9(10(13)14)15-12-8/h1-5,9,12H,(H,13,14).
What are the key properties of 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 57260376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).