3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid

C21H19F2NO4 — CID 127045659

IUPAC3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid
SMILESCc1noc(C)c1-c1ccc(F)c(COc2ccc(CCC(=O)O)c(F)c2)c1
InChIInChI=1S/C21H19F2NO4/c1-12-21(13(2)28-24-12)15-4-7-18(22)16(9-15)11-27-17-6-3-14(19(23)10-17)5-8-20(25)26/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,25,26)
InChIKeyYGMBZCXYSXAVJX-UHFFFAOYSA-N
MW387.38 g/mol
LogP4.83
Rot. Bonds7

About 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid

3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid (PubChem CID 127045659) has the molecular formula C21H19F2NO4 and a molecular weight of 387.38 g/mol. Its IUPAC name is 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid
PubChem CID127045659
Molecular FormulaC21H19F2NO4
Molecular Weight387.38 g/mol
Exact Mass387.13
IUPAC Name3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid
SMILESCc1noc(C)c1-c1ccc(F)c(COc2ccc(CCC(=O)O)c(F)c2)c1
InChIInChI=1S/C21H19F2NO4/c1-12-21(13(2)28-24-12)15-4-7-18(22)16(9-15)11-27-17-6-3-14(19(23)10-17)5-8-20(25)26/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,25,26)
InChIKeyYGMBZCXYSXAVJX-UHFFFAOYSA-N
XLogP4.83
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]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

3-[4-[[6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]methoxy]-2-fluorophenyl]propanoic acid
CID 127046665
3-[2-fluoro-4-[[3-(2,4,6-trimethylphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 58903194
3-[4-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-fluorophenyl]propanoic acid
CID 167971233
3-[2-fluoro-4-[(5-formyl-4-methoxythiophen-2-yl)methoxy]phenyl]propanoic acid
CID 141296713
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
3-[4-[[3-[4-[2-(diethylamino)ethoxy]-2,6-dimethylphenyl]phenyl]methoxy]-2-fluorophenyl]propanoic acid
CID 58903162
3-[4-[[3-(4-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]-3,5-difluorophenyl]propanoic acid
CID 45380639
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
4-(3,5-dimethyl-1,2-oxazol-4-yl)phenol
CID 11651288
3-[2-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]propanoic acid
CID 155925880
3-[5-(4-methoxyphenyl)-3-methyl-1,2-oxazol-4-yl]propanoic acid
CID 82302127
[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]boronic acid
CID 140959618

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid?
The IUPAC name of 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid (CID 127045659) is 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid?
The canonical SMILES for 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid is Cc1noc(C)c1-c1ccc(F)c(COc2ccc(CCC(=O)O)c(F)c2)c1.
What is the InChIKey of 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid?
The InChIKey is YGMBZCXYSXAVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2NO4/c1-12-21(13(2)28-24-12)15-4-7-18(22)16(9-15)11-27-17-6-3-14(19(23)10-17)5-8-20(25)26/h3-4,6-7,9-10H,5,8,11H2,1-2H3,(H,25,26).
What are the key properties of 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid?
3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid has a molecular weight of 387.38 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-fluorophenyl]methoxy]-2-fluorophenyl]propanoic acid is sourced from PubChem (CID 127045659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).