3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid

C12H10FNO3 — CID 105423523

IUPAC3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1oncc1-c1cccc(F)c1
InChIInChI=1S/C12H10FNO3/c13-9-3-1-2-8(6-9)10-7-14-17-11(10)4-5-12(15)16/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyJSZTXZIPVJTFHJ-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.50
Rot. Bonds4

About 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid

3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid (PubChem CID 105423523) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid
PubChem CID105423523
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid
SMILESO=C(O)CCc1oncc1-c1cccc(F)c1
InChIInChI=1S/C12H10FNO3/c13-9-3-1-2-8(6-9)10-7-14-17-11(10)4-5-12(15)16/h1-3,6-7H,4-5H2,(H,15,16)
InChIKeyJSZTXZIPVJTFHJ-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3-chlorophenyl)-1,2-oxazol-5-yl]propanoic acid
CID 105423718
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propan-1-amine
CID 105423308
3-[4-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]propanoic acid
CID 105423991
2-[4-(3-bromophenyl)-1,2-oxazol-5-yl]acetic acid
CID 105423960
3-[2-(3-fluorophenyl)pyrimidin-5-yl]propanoic acid
CID 82384666
5-chloro-4-(3-fluorophenyl)-1,2-oxazole
CID 84667900
5-bromo-4-(3-fluorophenyl)-1,2-oxazole
CID 84703029
3-[3-(3-fluorophenyl)-2-methylquinolin-5-yl]propanoic acid
CID 67603952
4-(3-fluorophenyl)-5-(pyrrolidin-3-ylmethyl)-1,2-oxazole
CID 115054030
5-[2-(3-fluorophenyl)phenyl]-5-oxopentanoic acid
CID 19036881
3-[3-(3-fluorophenyl)-1H-1,2,4-triazol-5-yl]propanoic acid
CID 82476094
3-[4-bromo-5-(3-fluorophenyl)-1-methylpyrazol-3-yl]propanoic acid
CID 84607468

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid (CID 105423523) is 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid is O=C(O)CCc1oncc1-c1cccc(F)c1.
What is the InChIKey of 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid?
The InChIKey is JSZTXZIPVJTFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c13-9-3-1-2-8(6-9)10-7-14-17-11(10)4-5-12(15)16/h1-3,6-7H,4-5H2,(H,15,16).
What are the key properties of 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid?
3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid has a molecular weight of 235.21 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-fluorophenyl)-1,2-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 105423523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).