3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid

C25H22FNO5S — CID 145258973

IUPAC3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
SMILESCOc1ccc(F)c(-c2onc(COc3cccc(CCC(=O)O)c3)c2-c2ccc(C)s2)c1
InChIInChI=1S/C25H22FNO5S/c1-15-6-10-22(33-15)24-21(14-31-18-5-3-4-16(12-18)7-11-23(28)29)27-32-25(24)19-13-17(30-2)8-9-20(19)26/h3-6,8-10,12-13H,7,11,14H2,1-2H3,(H,28,29)
InChIKeyATWGPLQFIKYMKP-UHFFFAOYSA-N
MW467.52 g/mol
LogP6.12
Rot. Bonds9

About 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid

3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid (PubChem CID 145258973) has the molecular formula C25H22FNO5S and a molecular weight of 467.52 g/mol. Its IUPAC name is 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
PubChem CID145258973
Molecular FormulaC25H22FNO5S
Molecular Weight467.52 g/mol
Exact Mass467.12
IUPAC Name3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid
SMILESCOc1ccc(F)c(-c2onc(COc3cccc(CCC(=O)O)c3)c2-c2ccc(C)s2)c1
InChIInChI=1S/C25H22FNO5S/c1-15-6-10-22(33-15)24-21(14-31-18-5-3-4-16(12-18)7-11-23(28)29)27-32-25(24)19-13-17(30-2)8-9-20(19)26/h3-6,8-10,12-13H,7,11,14H2,1-2H3,(H,28,29)
InChIKeyATWGPLQFIKYMKP-UHFFFAOYSA-N
XLogP6.12
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid (CID 145258973) is 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid is COc1ccc(F)c(-c2onc(COc3cccc(CCC(=O)O)c3)c2-c2ccc(C)s2)c1.
What is the InChIKey of 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid?
The InChIKey is ATWGPLQFIKYMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO5S/c1-15-6-10-22(33-15)24-21(14-31-18-5-3-4-16(12-18)7-11-23(28)29)27-32-25(24)19-13-17(30-2)8-9-20(19)26/h3-6,8-10,12-13H,7,11,14H2,1-2H3,(H,28,29).
What are the key properties of 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid?
3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid has a molecular weight of 467.52 g/mol, XLogP of 6.12, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[5-(2-fluoro-5-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1,2-oxazol-3-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 145258973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).