5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid

C16H10FNO4 — CID 131955030

IUPAC5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)on1
InChIInChI=1S/C16H10FNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15-9-14(16(19)20)18-22-15/h1-9H,(H,19,20)
InChIKeyIMRVOUSSXPWYTL-UHFFFAOYSA-N
MW299.26 g/mol
LogP3.97
Rot. Bonds4

About 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid

5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 131955030) has the molecular formula C16H10FNO4 and a molecular weight of 299.26 g/mol. Its IUPAC name is 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID131955030
Molecular FormulaC16H10FNO4
Molecular Weight299.26 g/mol
Exact Mass299.06
IUPAC Name5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)on1
InChIInChI=1S/C16H10FNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15-9-14(16(19)20)18-22-15/h1-9H,(H,19,20)
InChIKeyIMRVOUSSXPWYTL-UHFFFAOYSA-N
XLogP3.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic 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

5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(4-propoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 54846705
5-[4-(2-phenylethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846814
N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838851
5-[4-(1,1-dioxothietan-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 117494066
(4-fluorophenyl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 10858449
5-[4-(3-phenylpropoxy)phenyl]-1,2-oxazole-3-carboxylic acid
CID 54846850
5-(4-ethoxyphenyl)-N-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 17010994
5-[4-(2-hydroxyethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111153
5-[4-fluoro-3-(hydroxymethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117345950
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid (CID 131955030) is 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)on1.
What is the InChIKey of 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is IMRVOUSSXPWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO4/c17-11-3-7-13(8-4-11)21-12-5-1-10(2-6-12)15-9-14(16(19)20)18-22-15/h1-9H,(H,19,20).
What are the key properties of 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 299.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenoxy)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 131955030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).