2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid

C12H10FNO3 — CID 79440093

IUPAC2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid
SMILESO=C(O)C(Cc1cnoc1)c1cccc(F)c1
InChIInChI=1S/C12H10FNO3/c13-10-3-1-2-9(5-10)11(12(15)16)4-8-6-14-17-7-8/h1-3,5-7,11H,4H2,(H,15,16)
InChIKeyLFKFFRIBLXDXQZ-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.22
Rot. Bonds4

About 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid

2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid (PubChem CID 79440093) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid
PubChem CID79440093
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid
SMILESO=C(O)C(Cc1cnoc1)c1cccc(F)c1
InChIInChI=1S/C12H10FNO3/c13-10-3-1-2-9(5-10)11(12(15)16)4-8-6-14-17-7-8/h1-3,5-7,11H,4H2,(H,15,16)
InChIKeyLFKFFRIBLXDXQZ-UHFFFAOYSA-N
XLogP2.22
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-pyridinyl)-2-(3-fluorophenyl)propanoic acid
CID 104800741
3-(3-fluorophenyl)-2-pyridin-4-ylpropanoic acid
CID 104572700
3-(1,3-benzothiazol-2-yl)-2-(3-fluorophenyl)propanoic acid
CID 104631531
3-(5-fluoro-2-methylphenyl)-2-(3-fluorophenyl)propanoic acid
CID 105372523
2-(3-fluorophenyl)-3-(3-methyl-2-pyridinyl)propanoic acid
CID 112650931
3-(2,5-dimethylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440857
2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propanoic acid
CID 79440777
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(3-fluorophenyl)propanoic acid
CID 79441236
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-2-(3-fluorophenyl)propanoic acid
CID 79440853
3-methyl-4-(1,2-oxazol-4-yl)butan-2-one
CID 79429663
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propanoic acid
CID 79431080

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid?
The IUPAC name of 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid (CID 79440093) is 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid?
The canonical SMILES for 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid is O=C(O)C(Cc1cnoc1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid?
The InChIKey is LFKFFRIBLXDXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-10-3-1-2-9(5-10)11(12(15)16)4-8-6-14-17-7-8/h1-3,5-7,11H,4H2,(H,15,16).
What are the key properties of 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid?
2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid has a molecular weight of 235.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(1,2-oxazol-4-yl)propanoic acid is sourced from PubChem (CID 79440093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).