3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid

C12H10F2N2O4 — CID 39384244

IUPAC3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C12H10F2N2O4/c13-7-1-2-9(8(14)5-7)19-6-11-16-15-10(20-11)3-4-12(17)18/h1-2,5H,3-4,6H2,(H,17,18)
InChIKeyQLUDZSYQOMTPTK-UHFFFAOYSA-N
MW284.22 g/mol
LogP1.94
Rot. Bonds6

About 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid

3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 39384244) has the molecular formula C12H10F2N2O4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID39384244
Molecular FormulaC12H10F2N2O4
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(COc2ccc(F)cc2F)o1
InChIInChI=1S/C12H10F2N2O4/c13-7-1-2-9(8(14)5-7)19-6-11-16-15-10(20-11)3-4-12(17)18/h1-2,5H,3-4,6H2,(H,17,18)
InChIKeyQLUDZSYQOMTPTK-UHFFFAOYSA-N
XLogP1.94
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]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

2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 39360983
2-(4-chlorophenyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 110655751
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
3-[[2-(2,4-difluorophenoxy)acetyl]amino]propanoic acid
CID 43170635
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929338
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
3-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929197
4-[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54930127
4-[(2,4-difluorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623167
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole
CID 91652636
2-[4-(2,4-difluorophenoxy)butanoyl-methylamino]acetic acid
CID 119172006

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid (CID 39384244) is 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid is O=C(O)CCc1nnc(COc2ccc(F)cc2F)o1.
What is the InChIKey of 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is QLUDZSYQOMTPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4/c13-7-1-2-9(8(14)5-7)19-6-11-16-15-10(20-11)3-4-12(17)18/h1-2,5H,3-4,6H2,(H,17,18).
What are the key properties of 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 284.22 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 39384244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).