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

C11H7F3N2O3 — CID 63186938

IUPAC3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C11H7F3N2O3/c12-6-3-5(4-7(13)10(6)14)11-16-15-8(19-11)1-2-9(17)18/h3-4H,1-2H2,(H,17,18)
InChIKeyCZNDMDHONGQMMV-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.17
Rot. Bonds4

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

3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (PubChem CID 63186938) has the molecular formula C11H7F3N2O3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
PubChem CID63186938
Molecular FormulaC11H7F3N2O3
Molecular Weight272.18 g/mol
Exact Mass272.04
IUPAC Name3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
SMILESO=C(O)CCc1nnc(-c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C11H7F3N2O3/c12-6-3-5(4-7(13)10(6)14)11-16-15-8(19-11)1-2-9(17)18/h3-4H,1-2H2,(H,17,18)
InChIKeyCZNDMDHONGQMMV-UHFFFAOYSA-N
XLogP2.17
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-[5-(3,4,5-trifluorophenyl)-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

4-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 63186939
3-[5-(3,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929197
3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 107980690
4-[5-(3-bromo-5-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929793
4-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 54929386
4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39352729
3-[5-(3-hydroxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929244
4-[5-(4-fluoro-3-methylphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 55162479
5-[5-(3-bromo-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]pentanoic acid
CID 107953342
3-[5-(4-propylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 94692581
3-[5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54929338
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The IUPAC name of 3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid (CID 63186938) is 3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid.
What is the SMILES notation for 3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The canonical SMILES for 3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is O=C(O)CCc1nnc(-c2cc(F)c(F)c(F)c2)o1.
What is the InChIKey of 3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
The InChIKey is CZNDMDHONGQMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O3/c12-6-3-5(4-7(13)10(6)14)11-16-15-8(19-11)1-2-9(17)18/h3-4H,1-2H2,(H,17,18).
What are the key properties of 3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid?
3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid has a molecular weight of 272.18 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4,5-trifluorophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid is sourced from PubChem (CID 63186938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).