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

C12H9ClFNO4 — CID 138684066

IUPAC2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid
SMILESO=C(O)C(CF)Oc1ccc(Cl)cc1-c1ccno1
InChIInChI=1S/C12H9ClFNO4/c13-7-1-2-9(18-11(6-14)12(16)17)8(5-7)10-3-4-15-19-10/h1-5,11H,6H2,(H,16,17)
InChIKeyHNWAFJHJXSZSRK-UHFFFAOYSA-N
MW285.66 g/mol
LogP2.80
Rot. Bonds5

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

2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid (PubChem CID 138684066) has the molecular formula C12H9ClFNO4 and a molecular weight of 285.66 g/mol. Its IUPAC name is 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid
PubChem CID138684066
Molecular FormulaC12H9ClFNO4
Molecular Weight285.66 g/mol
Exact Mass285.02
IUPAC Name2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid
SMILESO=C(O)C(CF)Oc1ccc(Cl)cc1-c1ccno1
InChIInChI=1S/C12H9ClFNO4/c13-7-1-2-9(18-11(6-14)12(16)17)8(5-7)10-3-4-15-19-10/h1-5,11H,6H2,(H,16,17)
InChIKeyHNWAFJHJXSZSRK-UHFFFAOYSA-N
XLogP2.80
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.66
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic 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

(2S)-2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]butanoic acid
CID 138684075
(2R)-2-[4-bromo-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid
CID 138683986
2-[4-chloro-2-(1,1-difluoropropyl)phenoxy]-3-fluoropropanoic acid
CID 175204416
2-[4-bromo-5-fluoro-2-(1,2-oxazol-5-yl)phenoxy]propanoic acid
CID 138683950
2-(2-acetyl-4-chlorophenoxy)pentanoic acid
CID 83040836
2-[4-chloro-5-fluoro-2-(1,2-oxazol-3-yl)phenoxy]-3-fluoropropanoic acid
CID 138684016
4,6-dichloro-2-(2,4-dichlorophenoxy)hexanoic acid
CID 57323822
4-[[3-carboxy-3-(2,4-dichlorophenoxy)propyl]amino]-2-(2,4-dichlorophenoxy)butanoic acid
CID 175933797
2-(4-chloro-2-formylphenoxy)butanoic acid
CID 22057855
2-(4-chloro-2-methylphenoxy)-4-(4-chlorophenoxy)pentanedioic acid
CID 90997814
2-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]butanoic acid
CID 64661973
(2S)-3-amino-2-(2,5-dichlorophenoxy)propanoic acid;hydrochloride
CID 68946272

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid?
The IUPAC name of 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid (CID 138684066) is 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid.
What is the SMILES notation for 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid?
The canonical SMILES for 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid is O=C(O)C(CF)Oc1ccc(Cl)cc1-c1ccno1.
What is the InChIKey of 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid?
The InChIKey is HNWAFJHJXSZSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4/c13-7-1-2-9(18-11(6-14)12(16)17)8(5-7)10-3-4-15-19-10/h1-5,11H,6H2,(H,16,17).
What are the key properties of 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid?
2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid has a molecular weight of 285.66 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(1,2-oxazol-5-yl)phenoxy]-3-fluoropropanoic acid is sourced from PubChem (CID 138684066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).