2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid

C12H9ClFNO4 — CID 138683992

IUPAC2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid
SMILESCC(Oc1cc(F)c(Cl)cc1-c1ccon1)C(=O)O
InChIInChI=1S/C12H9ClFNO4/c1-6(12(16)17)19-11-5-9(14)8(13)4-7(11)10-2-3-18-15-10/h2-6H,1H3,(H,16,17)
InChIKeyYUPATJBREDABJA-UHFFFAOYSA-N
MW285.66 g/mol
LogP2.99
Rot. Bonds4

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

2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid (PubChem CID 138683992) has the molecular formula C12H9ClFNO4 and a molecular weight of 285.66 g/mol. Its IUPAC name is 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid
PubChem CID138683992
Molecular FormulaC12H9ClFNO4
Molecular Weight285.66 g/mol
Exact Mass285.02
IUPAC Name2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid
SMILESCC(Oc1cc(F)c(Cl)cc1-c1ccon1)C(=O)O
InChIInChI=1S/C12H9ClFNO4/c1-6(12(16)17)19-11-5-9(14)8(13)4-7(11)10-2-3-18-15-10/h2-6H,1H3,(H,16,17)
InChIKeyYUPATJBREDABJA-UHFFFAOYSA-N
XLogP2.99
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.66
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]-3-fluoropropanoic acid
CID 138684016
2-[4-bromo-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]-3-fluoropropanoic acid
CID 138683966
2-[4-chloro-2-(4-ethoxy-4,5-dihydro-1,2-oxazol-3-yl)-5-fluorophenoxy]propanoic acid
CID 155413638
2-[4-bromo-5-fluoro-2-(1,3-oxazol-4-yl)phenoxy]propanoic acid
CID 138683979
2-(2-chloro-5-fluorophenoxy)propanoic acid
CID 126975852
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid
CID 138683950
3-[5-chloro-2-(3-methylbutoxy)phenyl]-1,2-oxazole
CID 123150652
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid (CID 138683992) is 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid is CC(Oc1cc(F)c(Cl)cc1-c1ccon1)C(=O)O.
What is the InChIKey of 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid?
The InChIKey is YUPATJBREDABJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4/c1-6(12(16)17)19-11-5-9(14)8(13)4-7(11)10-2-3-18-15-10/h2-6H,1H3,(H,16,17).
What are the key properties of 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid?
2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid has a molecular weight of 285.66 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid is sourced from PubChem (CID 138683992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).