5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid

C12H10FNO3 — CID 117341655

IUPAC5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(F)c1ccccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H10FNO3/c1-7(13)8-4-2-3-5-9(8)11-6-10(12(15)16)14-17-11/h2-7H,1H3,(H,15,16)
InChIKeyUBPFIBKRPHRNJP-UHFFFAOYSA-N
MW235.21 g/mol
LogP3.07
Rot. Bonds3

About 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid

5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117341655) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117341655
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCC(F)c1ccccc1-c1cc(C(=O)O)no1
InChIInChI=1S/C12H10FNO3/c1-7(13)8-4-2-3-5-9(8)11-6-10(12(15)16)14-17-11/h2-7H,1H3,(H,15,16)
InChIKeyUBPFIBKRPHRNJP-UHFFFAOYSA-N
XLogP3.07
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid (CID 117341655) is 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid is CC(F)c1ccccc1-c1cc(C(=O)O)no1.
What is the InChIKey of 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UBPFIBKRPHRNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-7(13)8-4-2-3-5-9(8)11-6-10(12(15)16)14-17-11/h2-7H,1H3,(H,15,16).
What are the key properties of 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117341655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).