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

C12H9BrFNO4 — CID 138683950

IUPAC2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid
SMILESCC(Oc1cc(F)c(Br)cc1-c1ccno1)C(=O)O
InChIInChI=1S/C12H9BrFNO4/c1-6(12(16)17)18-11-5-9(14)8(13)4-7(11)10-2-3-15-19-10/h2-6H,1H3,(H,16,17)
InChIKeyMGHGMLJQGRPMFG-UHFFFAOYSA-N
MW330.11 g/mol
LogP3.10
Rot. Bonds4

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

2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid (PubChem CID 138683950) has the molecular formula C12H9BrFNO4 and a molecular weight of 330.11 g/mol. Its IUPAC name is 2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid
PubChem CID138683950
Molecular FormulaC12H9BrFNO4
Molecular Weight330.11 g/mol
Exact Mass328.97
IUPAC Name2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid
SMILESCC(Oc1cc(F)c(Br)cc1-c1ccno1)C(=O)O
InChIInChI=1S/C12H9BrFNO4/c1-6(12(16)17)18-11-5-9(14)8(13)4-7(11)10-2-3-15-19-10/h2-6H,1H3,(H,16,17)
InChIKeyMGHGMLJQGRPMFG-UHFFFAOYSA-N
XLogP3.10
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.11
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-5-fluoro-2-(1,3-oxazol-4-yl)phenoxy]propanoic acid
CID 138683979
(2S)-2-(4-bromo-2-cyclopropyl-5-fluorophenoxy)propanoic acid
CID 138687143
(2R)-2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid
CID 138683986
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
(2S)-2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]butanoic acid
CID 138684075
2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid
CID 138684066
2-[4-bromo-2-(3-propan-2-yl-1,2-oxazol-5-yl)phenoxy]propanoic acid
CID 138684043
2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]propanoic acid
CID 138683992
2-[4-bromo-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]-3-fluoropropanoic acid
CID 138683966
2-(2-amino-4-bromo-5-fluorophenoxy)propanamide
CID 103483009
(2S)-2-(2-bromo-4-propan-2-ylphenoxy)propanoic acid
CID 42207548
1-bromo-1-phenylpropan-2-one;ethane;methane;2-(1,2-oxazol-5-yl)phenol;2-[2-(1,2-oxazol-5-yl)phenoxy]-2-phenylacetic acid
CID 158674251

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid (CID 138683950) is 2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid is CC(Oc1cc(F)c(Br)cc1-c1ccno1)C(=O)O.
What is the InChIKey of 2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid?
The InChIKey is MGHGMLJQGRPMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO4/c1-6(12(16)17)18-11-5-9(14)8(13)4-7(11)10-2-3-15-19-10/h2-6H,1H3,(H,16,17).
What are the key properties of 2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid?
2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid has a molecular weight of 330.11 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid is sourced from PubChem (CID 138683950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).